2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane

C21H38 — CID 145256091

IUPAC2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane
SMILESCC1CCCC2CCC3CCCCC3(C)C2CCC1(C)C
InChIInChI=1S/C21H38/c1-16-8-7-9-17-11-12-18-10-5-6-14-21(18,4)19(17)13-15-20(16,2)3/h16-19H,5-15H2,1-4H3
InChIKeyPJAUMQNTGQTOPF-UHFFFAOYSA-N
MW290.54 g/mol
LogP6.84
Rot. Bonds

About 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane

2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane (PubChem CID 145256091) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane.

Molecular Properties

Compound Name2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane
PubChem CID145256091
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane
SMILESCC1CCCC2CCC3CCCCC3(C)C2CCC1(C)C
InChIInChI=1S/C21H38/c1-16-8-7-9-17-11-12-18-10-5-6-14-21(18,4)19(17)13-15-20(16,2)3/h16-19H,5-15H2,1-4H3
InChIKeyPJAUMQNTGQTOPF-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 176713715
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane
CID 149005122
1,1,2-trimethylcycloundecane
CID 544748
(7aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroindene;ethane;methane
CID 142069043
(10aR)-4a,6a,7-trimethyl-2,3,4,4b,5,6,6b,7,8,9,10,10a,11,11a,11b,12,13,13a-octadecahydro-1H-indeno[2,1-a]phenanthrene
CID 123522446
2-cyclopropyl-2-methylbicyclo[3.2.0]heptane;ethane
CID 168971709
methanol;1,1,2-trimethylcyclohexane
CID 70292509
(5R,8R,9R,10S,13R,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 638018
(10S,13R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452996
(5S,8R,9R,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 124896388
(8S,9R,10S,13S,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 57064082

Frequently Asked Questions

What is the IUPAC name of 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane?
The IUPAC name of 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane (CID 145256091) is 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane.
What is the SMILES notation for 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane?
The canonical SMILES for 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane is CC1CCCC2CCC3CCCCC3(C)C2CCC1(C)C.
What is the InChIKey of 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane?
The InChIKey is PJAUMQNTGQTOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-16-8-7-9-17-11-12-18-10-5-6-14-21(18,4)19(17)13-15-20(16,2)3/h16-19H,5-15H2,1-4H3.
What are the key properties of 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane?
2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane has a molecular weight of 290.54 g/mol, XLogP of 6.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14,15,15-tetramethyltricyclo[8.7.0.02,7]heptadecane is sourced from PubChem (CID 145256091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).