7-methyltricyclo[3.3.0.01,4]octane

C9H14 — CID 148884206

IUPAC7-methyltricyclo[3.3.0.01,4]octane
SMILESCC1CC2C3CCC32C1
InChIInChI=1S/C9H14/c1-6-4-8-7-2-3-9(7,8)5-6/h6-8H,2-5H2,1H3
InChIKeyPDRAROPXVFGJLT-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.44
Rot. Bonds

About 7-methyltricyclo[3.3.0.01,4]octane

7-methyltricyclo[3.3.0.01,4]octane (PubChem CID 148884206) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 7-methyltricyclo[3.3.0.01,4]octane.

Molecular Properties

Compound Name7-methyltricyclo[3.3.0.01,4]octane
PubChem CID148884206
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name7-methyltricyclo[3.3.0.01,4]octane
SMILESCC1CC2C3CCC32C1
InChIInChI=1S/C9H14/c1-6-4-8-7-2-3-9(7,8)5-6/h6-8H,2-5H2,1H3
InChIKeyPDRAROPXVFGJLT-UHFFFAOYSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,6-trimethylspiro[2.4]heptane
CID 123183171
(1S,2S,3R,3'S,4R)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclopentane]-2-amine
CID 164833383
(1S,3S,5R,6R,7S,10R)-3,7-dimethyl-10-propan-2-yltricyclo[4.4.0.01,5]decan-7-ol
CID 162885712
6,8-dimethylspiro[2.5]octan-2-amine
CID 64755024
1,4-dimethyl-2-(1-methylcyclopropyl)cyclopentane
CID 123851354
2',3-dimethylspiro[bicyclo[3.1.0]hexane-6,1'-cyclobutane]
CID 91319606
(3aS,6aS)-6a-fluoro-2-methyl-2,3,3a,4,5,6-hexahydro-1H-pentalene
CID 144922740
(3S,5R)-1,3,5,7,9,11-hexamethylbicyclo[5.5.1]tridecane
CID 59096410
(5R)-tricyclo[3.2.0.01,6]heptane
CID 163731431
trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
2,2,4,7,7-pentamethylbicyclo[6.2.0]decane
CID 148883655
1,1,2-trifluoro-2,3,5-trimethylcyclohexane
CID 161062506

Frequently Asked Questions

What is the IUPAC name of 7-methyltricyclo[3.3.0.01,4]octane?
The IUPAC name of 7-methyltricyclo[3.3.0.01,4]octane (CID 148884206) is 7-methyltricyclo[3.3.0.01,4]octane.
What is the SMILES notation for 7-methyltricyclo[3.3.0.01,4]octane?
The canonical SMILES for 7-methyltricyclo[3.3.0.01,4]octane is CC1CC2C3CCC32C1.
What is the InChIKey of 7-methyltricyclo[3.3.0.01,4]octane?
The InChIKey is PDRAROPXVFGJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-6-4-8-7-2-3-9(7,8)5-6/h6-8H,2-5H2,1H3.
What are the key properties of 7-methyltricyclo[3.3.0.01,4]octane?
7-methyltricyclo[3.3.0.01,4]octane has a molecular weight of 122.21 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyltricyclo[3.3.0.01,4]octane is sourced from PubChem (CID 148884206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).