1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane

C22H42 — CID 177218967

IUPAC1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane
SMILESCCCC1(C)CCCCC2(C)CC2CCC(C)(C)CCC1C
InChIInChI=1S/C22H42/c1-7-12-21(5)13-8-9-14-22(6)17-19(22)11-16-20(3,4)15-10-18(21)2/h18-19H,7-17H2,1-6H3
InChIKeyKNBTYMVHNAFIGZ-UHFFFAOYSA-N
MW306.58 g/mol
LogP7.62
Rot. Bonds2

About 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane

1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane (PubChem CID 177218967) has the molecular formula C22H42 and a molecular weight of 306.58 g/mol. Its IUPAC name is 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane.

Molecular Properties

Compound Name1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane
PubChem CID177218967
Molecular FormulaC22H42
Molecular Weight306.58 g/mol
Exact Mass306.33
IUPAC Name1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane
SMILESCCCC1(C)CCCCC2(C)CC2CCC(C)(C)CCC1C
InChIInChI=1S/C22H42/c1-7-12-21(5)13-8-9-14-22(6)17-19(22)11-16-20(3,4)15-10-18(21)2/h18-19H,7-17H2,1-6H3
InChIKeyKNBTYMVHNAFIGZ-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.58
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane
CID 141375882
1,2,3-trimethyl-1-propylcyclopentane
CID 91062709
2-methyl-1-propylcyclopentane-1-carbaldehyde
CID 130655342
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1,2-dimethyl-1-prop-2-enylcyclopentane
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2-methyl-2-propylbicyclo[2.2.1]heptane
CID 20587119

Frequently Asked Questions

What is the IUPAC name of 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane?
The IUPAC name of 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane (CID 177218967) is 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane.
What is the SMILES notation for 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane?
The canonical SMILES for 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane is CCCC1(C)CCCCC2(C)CC2CCC(C)(C)CCC1C.
What is the InChIKey of 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane?
The InChIKey is KNBTYMVHNAFIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42/c1-7-12-21(5)13-8-9-14-22(6)17-19(22)11-16-20(3,4)15-10-18(21)2/h18-19H,7-17H2,1-6H3.
What are the key properties of 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane?
1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane has a molecular weight of 306.58 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,10,10-pentamethyl-6-propylbicyclo[11.1.0]tetradecane is sourced from PubChem (CID 177218967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).