2,4,4,9-tetramethylbicyclo[6.1.0]nonane

C13H24 — CID 123967935

IUPAC2,4,4,9-tetramethylbicyclo[6.1.0]nonane
SMILESCC1CC(C)(C)CCCC2C(C)C12
InChIInChI=1S/C13H24/c1-9-8-13(3,4)7-5-6-11-10(2)12(9)11/h9-12H,5-8H2,1-4H3
InChIKeyGSMKJRBDRYGLMZ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.10
Rot. Bonds

About 2,4,4,9-tetramethylbicyclo[6.1.0]nonane

2,4,4,9-tetramethylbicyclo[6.1.0]nonane (PubChem CID 123967935) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2,4,4,9-tetramethylbicyclo[6.1.0]nonane.

Molecular Properties

Compound Name2,4,4,9-tetramethylbicyclo[6.1.0]nonane
PubChem CID123967935
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2,4,4,9-tetramethylbicyclo[6.1.0]nonane
SMILESCC1CC(C)(C)CCCC2C(C)C12
InChIInChI=1S/C13H24/c1-9-8-13(3,4)7-5-6-11-10(2)12(9)11/h9-12H,5-8H2,1-4H3
InChIKeyGSMKJRBDRYGLMZ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(3,3-dimethylcyclohexyl)methanol
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2,7,7-trimethylcyclooctan-1-amine
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4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
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2,6,6-trimethylcycloheptane-1-carboxamide
CID 86737466
N,N,3,3-tetramethylcyclohexan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2,4,4,9-tetramethylbicyclo[6.1.0]nonane?
The IUPAC name of 2,4,4,9-tetramethylbicyclo[6.1.0]nonane (CID 123967935) is 2,4,4,9-tetramethylbicyclo[6.1.0]nonane.
What is the SMILES notation for 2,4,4,9-tetramethylbicyclo[6.1.0]nonane?
The canonical SMILES for 2,4,4,9-tetramethylbicyclo[6.1.0]nonane is CC1CC(C)(C)CCCC2C(C)C12.
What is the InChIKey of 2,4,4,9-tetramethylbicyclo[6.1.0]nonane?
The InChIKey is GSMKJRBDRYGLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-9-8-13(3,4)7-5-6-11-10(2)12(9)11/h9-12H,5-8H2,1-4H3.
What are the key properties of 2,4,4,9-tetramethylbicyclo[6.1.0]nonane?
2,4,4,9-tetramethylbicyclo[6.1.0]nonane has a molecular weight of 180.33 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4,9-tetramethylbicyclo[6.1.0]nonane is sourced from PubChem (CID 123967935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).