8-methyltetracyclo[4.2.0.01,7.02,5]octane

C9H12 — CID 123800376

IUPAC8-methyltetracyclo[4.2.0.01,7.02,5]octane
SMILESCC1C2C3C4CCC4C132
InChIInChI=1S/C9H12/c1-4-7-8-5-2-3-6(5)9(4,7)8/h4-8H,2-3H2,1H3
InChIKeyCQUHKWVWQNOXRK-UHFFFAOYSA-N
MW120.19 g/mol
LogP1.91
Rot. Bonds

About 8-methyltetracyclo[4.2.0.01,7.02,5]octane

8-methyltetracyclo[4.2.0.01,7.02,5]octane (PubChem CID 123800376) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 8-methyltetracyclo[4.2.0.01,7.02,5]octane.

Molecular Properties

Compound Name8-methyltetracyclo[4.2.0.01,7.02,5]octane
PubChem CID123800376
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name8-methyltetracyclo[4.2.0.01,7.02,5]octane
SMILESCC1C2C3C4CCC4C132
InChIInChI=1S/C9H12/c1-4-7-8-5-2-3-6(5)9(4,7)8/h4-8H,2-3H2,1H3
InChIKeyCQUHKWVWQNOXRK-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123654850
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7-(2-cyclohexylethyl)-1-methyltricyclo[4.2.0.02,5]octane
CID 163542026
(3S,11bS)-3,9,9,10,10a,11,11b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,10,11,11a-tetradecahydrobenzo[a]fluorene
CID 90978846
(1R,2R,5S)-4,4-dimethylbicyclo[3.2.0]heptan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 8-methyltetracyclo[4.2.0.01,7.02,5]octane?
The IUPAC name of 8-methyltetracyclo[4.2.0.01,7.02,5]octane (CID 123800376) is 8-methyltetracyclo[4.2.0.01,7.02,5]octane.
What is the SMILES notation for 8-methyltetracyclo[4.2.0.01,7.02,5]octane?
The canonical SMILES for 8-methyltetracyclo[4.2.0.01,7.02,5]octane is CC1C2C3C4CCC4C132.
What is the InChIKey of 8-methyltetracyclo[4.2.0.01,7.02,5]octane?
The InChIKey is CQUHKWVWQNOXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-4-7-8-5-2-3-6(5)9(4,7)8/h4-8H,2-3H2,1H3.
What are the key properties of 8-methyltetracyclo[4.2.0.01,7.02,5]octane?
8-methyltetracyclo[4.2.0.01,7.02,5]octane has a molecular weight of 120.19 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyltetracyclo[4.2.0.01,7.02,5]octane is sourced from PubChem (CID 123800376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).