4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane

C12H18 — CID 123295375

IUPAC4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane
SMILESCC1CC2(C)C3C4C(C)C2(C)C143
InChIInChI=1S/C12H18/c1-6-5-10(3)9-8-7(2)11(10,4)12(6,8)9/h6-9H,5H2,1-4H3
InChIKeyDBODPQIEASTKKY-UHFFFAOYSA-N
MW162.28 g/mol
LogP2.93
Rot. Bonds

About 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane

4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane (PubChem CID 123295375) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane.

Molecular Properties

Compound Name4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane
PubChem CID123295375
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane
SMILESCC1CC2(C)C3C4C(C)C2(C)C143
InChIInChI=1S/C12H18/c1-6-5-10(3)9-8-7(2)11(10,4)12(6,8)9/h6-9H,5H2,1-4H3
InChIKeyDBODPQIEASTKKY-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1,2,2,3,4,5,5,6,6,7-undecamethylcyclooctane
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(2R)-1-fluoro-1,2-dimethylcyclopropane
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CID 162401464
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CID 174915163
7,8,9,10-tetramethyldodecacyclo[10.8.0.01,4.02,9.02,11.03,6.03,8.04,19.05,18.013,20.015,20.016,19]icosane
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1,3,4,4,5-pentamethylpiperidine
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2,5-dimethylspiro[2.2]pentan-2-amine
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1,2,4,9-tetramethyltetracyclo[6.1.1.02,7.03,6]decane
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CID 123628540

Frequently Asked Questions

What is the IUPAC name of 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane?
The IUPAC name of 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane (CID 123295375) is 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane.
What is the SMILES notation for 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane?
The canonical SMILES for 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane is CC1CC2(C)C3C4C(C)C2(C)C143.
What is the InChIKey of 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane?
The InChIKey is DBODPQIEASTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-6-5-10(3)9-8-7(2)11(10,4)12(6,8)9/h6-9H,5H2,1-4H3.
What are the key properties of 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane?
4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane has a molecular weight of 162.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,8-tetramethyltetracyclo[3.3.0.01,3.02,6]octane is sourced from PubChem (CID 123295375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).