1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane

C64H116O12 — CID 157293259

IUPAC1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane
SMILESC.C.C.C.C.C.CC1C(C)C2OC1C1C3OC(C21)C(C(C)(C)O)C3C(C)(C)O.CC1C(C)C2OC1C1C3OC(C21)C(C1(O)CCCC1)C3C1(O)CCCC1.CC1C(C)C2OC1C1C3OC(C21)C(C1(O)CCCC1)C3CO
InChIInChI=1S/C22H34O4.C18H28O4.C18H30O4.6CH4/c1-11-12(2)18-14-13(17(11)25-18)19-15(21(23)7-3-4-8-21)16(20(14)26-19)22(24)9-5-6-10-22;1-8-9(2)15-12-11(14(8)21-15)16-10(7-19)13(17(12)22-16)18(20)5-3-4-6-18;1-7-8(2)14-10-9(13(7)21-14)15-11(17(3,4)19)12(16(10)22-15)18(5,6)20;;;;;;/h11-20,23-24H,3-10H2,1-2H3;8-17,19-20H,3-7H2,1-2H3;7-16,19-20H,1-6H3;6*1H4
InChIKeyBBAYFPMJPTZQCV-UHFFFAOYSA-N
MW1077.62 g/mol
LogP10.12
Rot. Bonds6

About 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane

1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane (PubChem CID 157293259) has the molecular formula C64H116O12 and a molecular weight of 1077.62 g/mol. Its IUPAC name is 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane.

Molecular Properties

Compound Name1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane
PubChem CID157293259
Molecular FormulaC64H116O12
Molecular Weight1077.62 g/mol
Exact Mass1076.85
IUPAC Name1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane
SMILESC.C.C.C.C.C.CC1C(C)C2OC1C1C3OC(C21)C(C(C)(C)O)C3C(C)(C)O.CC1C(C)C2OC1C1C3OC(C21)C(C1(O)CCCC1)C3C1(O)CCCC1.CC1C(C)C2OC1C1C3OC(C21)C(C1(O)CCCC1)C3CO
InChIInChI=1S/C22H34O4.C18H28O4.C18H30O4.6CH4/c1-11-12(2)18-14-13(17(11)25-18)19-15(21(23)7-3-4-8-21)16(20(14)26-19)22(24)9-5-6-10-22;1-8-9(2)15-12-11(14(8)21-15)16-10(7-19)13(17(12)22-16)18(20)5-3-4-6-18;1-7-8(2)14-10-9(13(7)21-14)15-11(17(3,4)19)12(16(10)22-15)18(5,6)20;;;;;;/h11-20,23-24H,3-10H2,1-2H3;8-17,19-20H,3-7H2,1-2H3;7-16,19-20H,1-6H3;6*1H4
InChIKeyBBAYFPMJPTZQCV-UHFFFAOYSA-N
XLogP10.12
TPSA176.76 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001077.62
LogP ≤ 510.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane with MolForge

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Related Compounds

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6-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)oxane-2,3,4-triol
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(2R,3S,4S,5S,6R)-2-(1-hydroxycyclohexyl)-6-(hydroxymethyl)oxane-3,4,5-triol
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[2,5-diethyl-4-(1-hydroxycyclopentyl)oxolan-3-yl]methyl acetate
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(3R,3aS,4S,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-2,3,3a,4,5,6,7,8-octahydro-1H-azulen-4-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane?
The IUPAC name of 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane (CID 157293259) is 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane.
What is the SMILES notation for 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane?
The canonical SMILES for 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane is C.C.C.C.C.C.CC1C(C)C2OC1C1C3OC(C21)C(C(C)(C)O)C3C(C)(C)O.CC1C(C)C2OC1C1C3OC(C21)C(C1(O)CCCC1)C3C1(O)CCCC1.CC1C(C)C2OC1C1C3OC(C21)C(C1(O)CCCC1)C3CO.
What is the InChIKey of 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane?
The InChIKey is BBAYFPMJPTZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4.C18H28O4.C18H30O4.6CH4/c1-11-12(2)18-14-13(17(11)25-18)19-15(21(23)7-3-4-8-21)16(20(14)26-19)22(24)9-5-6-10-22;1-8-9(2)15-12-11(14(8)21-15)16-10(7-19)13(17(12)22-16)18(20)5-3-4-6-18;1-7-8(2)14-10-9(13(7)21-14)15-11(17(3,4)19)12(16(10)22-15)18(5,6)20;;;;;;/h11-20,23-24H,3-10H2,1-2H3;8-17,19-20H,3-7H2,1-2H3;7-16,19-20H,1-6H3;6*1H4.
What are the key properties of 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane?
1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane has a molecular weight of 1077.62 g/mol, XLogP of 10.12, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-hydroxycyclopentyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;1-[5-(hydroxymethyl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]cyclopentan-1-ol;2-[5-(2-hydroxypropan-2-yl)-9,10-dimethyl-11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodecan-4-yl]propan-2-ol;methane is sourced from PubChem (CID 157293259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).