4-methyltetracyclo[3.3.0.01,6.02,7]octane

C9H12 — CID 123988822

IUPAC4-methyltetracyclo[3.3.0.01,6.02,7]octane
SMILESCC1CC2C3CC24C1C34
InChIInChI=1S/C9H12/c1-4-2-6-5-3-9(6)7(4)8(5)9/h4-8H,2-3H2,1H3
InChIKeyUMDCGFZQNGJTAT-UHFFFAOYSA-N
MW120.19 g/mol
LogP1.91
Rot. Bonds

About 4-methyltetracyclo[3.3.0.01,6.02,7]octane

4-methyltetracyclo[3.3.0.01,6.02,7]octane (PubChem CID 123988822) has the molecular formula C9H12 and a molecular weight of 120.19 g/mol. Its IUPAC name is 4-methyltetracyclo[3.3.0.01,6.02,7]octane.

Molecular Properties

Compound Name4-methyltetracyclo[3.3.0.01,6.02,7]octane
PubChem CID123988822
Molecular FormulaC9H12
Molecular Weight120.19 g/mol
Exact Mass120.09
IUPAC Name4-methyltetracyclo[3.3.0.01,6.02,7]octane
SMILESCC1CC2C3CC24C1C34
InChIInChI=1S/C9H12/c1-4-2-6-5-3-9(6)7(4)8(5)9/h4-8H,2-3H2,1H3
InChIKeyUMDCGFZQNGJTAT-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

2,5-dimethylbicyclo[2.2.0]hexane
CID 91558991
9,10,11-trimethylpentacyclo[6.3.1.01,7.02,6.04,10]dodecane
CID 123902270
(1S,2S,4R,5R)-2,4-dimethylbicyclo[3.1.0]hexane
CID 172607830
(5S)-2,4-dimethylbicyclo[3.1.0]hexane
CID 142062990
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane
CID 123813871
3-methyltricyclo[4.2.0.02,5]octane-1-thiol
CID 167291455
1,2,4,9-tetramethyltetracyclo[6.1.1.02,7.03,6]decane
CID 123168411
2,3,5,5,8,8,9,9,12,12-decamethyl-1,2,3,4,4a,5a,6,6a,7,10,10a,11,11a,12a-tetradecahydrotetracene
CID 22894527
8,18-dimethyloctacyclo[9.7.0.01,13.02,7.02,10.03,17.05,15.06,14]octadecane
CID 123472784
2-methylcyclopropane-1-thiol
CID 123630782
3,6,12-trimethyltricyclo[6.2.2.04,9]dodecan-1-ol
CID 143329110

Frequently Asked Questions

What is the IUPAC name of 4-methyltetracyclo[3.3.0.01,6.02,7]octane?
The IUPAC name of 4-methyltetracyclo[3.3.0.01,6.02,7]octane (CID 123988822) is 4-methyltetracyclo[3.3.0.01,6.02,7]octane.
What is the SMILES notation for 4-methyltetracyclo[3.3.0.01,6.02,7]octane?
The canonical SMILES for 4-methyltetracyclo[3.3.0.01,6.02,7]octane is CC1CC2C3CC24C1C34.
What is the InChIKey of 4-methyltetracyclo[3.3.0.01,6.02,7]octane?
The InChIKey is UMDCGFZQNGJTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12/c1-4-2-6-5-3-9(6)7(4)8(5)9/h4-8H,2-3H2,1H3.
What are the key properties of 4-methyltetracyclo[3.3.0.01,6.02,7]octane?
4-methyltetracyclo[3.3.0.01,6.02,7]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 4-methyltetracyclo[3.3.0.01,6.02,7]octane is sourced from PubChem (CID 123988822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).