2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane

C14H24 — CID 123787796

IUPAC2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
SMILESCC1C(C)C2C(C)C3C(C)C(C1C)C23
InChIInChI=1S/C14H24/c1-6-7(2)11-9(4)13-10(5)12(8(6)3)14(11)13/h6-14H,1-5H3
InChIKeyPBVQAGXHFJGYHN-UHFFFAOYSA-N
MW192.35 g/mol
LogP3.67
Rot. Bonds

About 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane

2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane (PubChem CID 123787796) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane.

Molecular Properties

Compound Name2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
PubChem CID123787796
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
SMILESCC1C(C)C2C(C)C3C(C)C(C1C)C23
InChIInChI=1S/C14H24/c1-6-7(2)11-9(4)13-10(5)12(8(6)3)14(11)13/h6-14H,1-5H3
InChIKeyPBVQAGXHFJGYHN-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 58453423
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
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(2R,3S,5R,6R)-2,3,5,6-tetramethylbicyclo[2.2.0]hexane
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1,2,3,4,5,6,7-heptamethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;methane;1,2,3,4,5,6,7,8,9-nonamethyl-9bH-phenalene;2,3,4,6,7,9,10,11,15-nonamethyltetracyclo[10.2.1.05,14.08,13]pentadecane
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CID 100992125
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CID 162297700

Frequently Asked Questions

What is the IUPAC name of 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane?
The IUPAC name of 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane (CID 123787796) is 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane.
What is the SMILES notation for 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane?
The canonical SMILES for 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane is CC1C(C)C2C(C)C3C(C)C(C1C)C23.
What is the InChIKey of 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane?
The InChIKey is PBVQAGXHFJGYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-6-7(2)11-9(4)13-10(5)12(8(6)3)14(11)13/h6-14H,1-5H3.
What are the key properties of 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane?
2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane has a molecular weight of 192.35 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane is sourced from PubChem (CID 123787796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).