methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane

C78H138O14 — CID 160985964

IUPACmethane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
SMILESC.C.CC(C)C1C2COC3OCC1(C)C3C2.CC(C)C1C2COC3OCC1(C)C3C2.CC(C)C1C2COC3OCC1C3C2.CC(C)C1CCOC2OCCC21.CC(C)C1COC2OCCC21.CC(C)C1COC2OCCCC21.CC(C)[C@H]1C[C@H]2CO[C@H]3OCC[C@@H]1[C@@H]23
InChIInChI=1S/3C12H20O2.C11H18O2.2C10H18O2.C9H16O2.2CH4/c2*1-7(2)10-8-4-9-11(13-5-8)14-6-12(9,10)3;1-7(2)10-5-8-6-14-12-11(8)9(10)3-4-13-12;1-6(2)10-7-3-8-9(10)5-13-11(8)12-4-7;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-6(2)8-5-11-9-7(8)3-4-10-9;;/h2*7-11H,4-6H2,1-3H3;7-12H,3-6H2,1-2H3;6-11H,3-5H2,1-2H3;2*7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;2*1H4/t;;8-,9-,10+,11+,12+;;;;;;/m..0....../s1
InChIKeyTTZCQTHIAVBKPA-CRBUYYEASA-N
MW1299.95 g/mol
LogP15.77
Rot. Bonds7

About methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane

methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane (PubChem CID 160985964) has the molecular formula C78H138O14 and a molecular weight of 1299.95 g/mol. Its IUPAC name is methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane.

Molecular Properties

Compound Namemethane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
PubChem CID160985964
Molecular FormulaC78H138O14
Molecular Weight1299.95 g/mol
Exact Mass1299.01
IUPAC Namemethane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
SMILESC.C.CC(C)C1C2COC3OCC1(C)C3C2.CC(C)C1C2COC3OCC1(C)C3C2.CC(C)C1C2COC3OCC1C3C2.CC(C)C1CCOC2OCCC21.CC(C)C1COC2OCCC21.CC(C)C1COC2OCCCC21.CC(C)[C@H]1C[C@H]2CO[C@H]3OCC[C@@H]1[C@@H]23
InChIInChI=1S/3C12H20O2.C11H18O2.2C10H18O2.C9H16O2.2CH4/c2*1-7(2)10-8-4-9-11(13-5-8)14-6-12(9,10)3;1-7(2)10-5-8-6-14-12-11(8)9(10)3-4-13-12;1-6(2)10-7-3-8-9(10)5-13-11(8)12-4-7;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-6(2)8-5-11-9-7(8)3-4-10-9;;/h2*7-11H,4-6H2,1-3H3;7-12H,3-6H2,1-2H3;6-11H,3-5H2,1-2H3;2*7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;2*1H4/t;;8-,9-,10+,11+,12+;;;;;;/m..0....../s1
InChIKeyTTZCQTHIAVBKPA-CRBUYYEASA-N
XLogP15.77
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001299.95
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane?
The IUPAC name of methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane (CID 160985964) is methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane.
What is the SMILES notation for methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane?
The canonical SMILES for methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane is C.C.CC(C)C1C2COC3OCC1(C)C3C2.CC(C)C1C2COC3OCC1(C)C3C2.CC(C)C1C2COC3OCC1C3C2.CC(C)C1CCOC2OCCC21.CC(C)C1COC2OCCC21.CC(C)C1COC2OCCCC21.CC(C)[C@H]1C[C@H]2CO[C@H]3OCC[C@@H]1[C@@H]23.
What is the InChIKey of methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane?
The InChIKey is TTZCQTHIAVBKPA-CRBUYYEASA-N. The full InChI is InChI=1S/3C12H20O2.C11H18O2.2C10H18O2.C9H16O2.2CH4/c2*1-7(2)10-8-4-9-11(13-5-8)14-6-12(9,10)3;1-7(2)10-5-8-6-14-12-11(8)9(10)3-4-13-12;1-6(2)10-7-3-8-9(10)5-13-11(8)12-4-7;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-6(2)8-5-11-9-7(8)3-4-10-9;;/h2*7-11H,4-6H2,1-3H3;7-12H,3-6H2,1-2H3;6-11H,3-5H2,1-2H3;2*7-10H,3-6H2,1-2H3;6-9H,3-5H2,1-2H3;2*1H4/t;;8-,9-,10+,11+,12+;;;;;;/m..0....../s1.
What are the key properties of methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane?
methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane has a molecular weight of 1299.95 g/mol, XLogP of 15.77, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(7-methyl-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane);4-propan-2-yl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan;3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;4-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran;10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane;(1R,4R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane is sourced from PubChem (CID 160985964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).