bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane

C20H40O2 — CID 90978472

IUPACbis(2-methoxybutane);tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CCC(C)OC.CCC(C)OC
InChIInChI=1S/C10H16.2C5H12O/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-4-5(2)6-3/h7-10H,1-6H2;2*5H,4H2,1-3H3
InChIKeyJVIABPJODXJTIU-UHFFFAOYSA-N
MW312.54 g/mol
LogP5.70
Rot. Bonds4

About bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane

bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane (PubChem CID 90978472) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Namebis(2-methoxybutane);tricyclo[5.2.1.02,6]decane
PubChem CID90978472
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Namebis(2-methoxybutane);tricyclo[5.2.1.02,6]decane
SMILESC1CC2C3CCC(C3)C2C1.CCC(C)OC.CCC(C)OC
InChIInChI=1S/C10H16.2C5H12O/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-4-5(2)6-3/h7-10H,1-6H2;2*5H,4H2,1-3H3
InChIKeyJVIABPJODXJTIU-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7S)-tricyclo[5.2.1.02,6]decane
CID 154529079
methane;2-methoxybutane
CID 162124465
ethane;tricyclo[4.4.0.02,8]decane
CID 91556011
tricyclo[4.4.0.02,8]decane
CID 585864
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
tetracyclo[9.7.0.03,8.012,16]octadecane
CID 140868120
5-butan-2-yloxybicyclo[2.1.0]pentane
CID 90886717
ethane;phenol;propane;tricyclo[5.2.1.02,6]decane
CID 158010646
bis(2-(2-ethoxyethoxy)ethyl acetate);tricyclo[5.2.1.02,6]decane
CID 159910299
bis(methyl 3-(ethylcarbamoyloxy)propanoate);tricyclo[5.2.1.02,6]decane
CID 162020092
bicyclo[1.1.0]butane;ethane;2-methylbutane
CID 142057154
(3aR)-4-fluoro-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 135252320

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane?
The IUPAC name of bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane (CID 90978472) is bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane?
The canonical SMILES for bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane is C1CC2C3CCC(C3)C2C1.CCC(C)OC.CCC(C)OC.
What is the InChIKey of bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane?
The InChIKey is JVIABPJODXJTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C5H12O/c1-2-9-7-4-5-8(6-7)10(9)3-1;2*1-4-5(2)6-3/h7-10H,1-6H2;2*5H,4H2,1-3H3.
What are the key properties of bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane?
bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane has a molecular weight of 312.54 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxybutane);tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 90978472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).