4,7-dimethyltricyclo[3.3.0.01,3]octane

C10H16 — CID 91187511

IUPAC4,7-dimethyltricyclo[3.3.0.01,3]octane
SMILESCC1CC2C(C)C3CC23C1
InChIInChI=1S/C10H16/c1-6-3-8-7(2)9-5-10(8,9)4-6/h6-9H,3-5H2,1-2H3
InChIKeyOEOKNHURQLOUBA-UHFFFAOYSA-N
MW136.24 g/mol
LogP2.69
Rot. Bonds

About 4,7-dimethyltricyclo[3.3.0.01,3]octane

4,7-dimethyltricyclo[3.3.0.01,3]octane (PubChem CID 91187511) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 4,7-dimethyltricyclo[3.3.0.01,3]octane.

Molecular Properties

Compound Name4,7-dimethyltricyclo[3.3.0.01,3]octane
PubChem CID91187511
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name4,7-dimethyltricyclo[3.3.0.01,3]octane
SMILESCC1CC2C(C)C3CC23C1
InChIInChI=1S/C10H16/c1-6-3-8-7(2)9-5-10(8,9)4-6/h6-9H,3-5H2,1-2H3
InChIKeyOEOKNHURQLOUBA-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Aromadendrane
CID 520381
(1aR,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
CID 76325293
(1aR,4R,4aS,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
CID 162976506
(1aR,4S,4aR,7R,7aR,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
CID 162976508
Octahydrocyclobuta[c]pentalene
CID 565018
Ledane
CID 102239850
Tricyclo[6.2.0.02,6] decane
CID 20688147
(1aR,4aR,7S,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulene
CID 171038638
(1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]
CID 11805533
(1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane
CID 11829780
Octahydro-1,1,4a,7-tetramethyl-1h-cycloprop[e]azulene
CID 129724161
(1S,3R,5S,8R,9R,11R,14R)-4,8,11-trimethyl-14-propan-2-yltetracyclo[9.3.0.01,3.05,9]tetradecane
CID 164665814

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyltricyclo[3.3.0.01,3]octane?
The IUPAC name of 4,7-dimethyltricyclo[3.3.0.01,3]octane (CID 91187511) is 4,7-dimethyltricyclo[3.3.0.01,3]octane.
What is the SMILES notation for 4,7-dimethyltricyclo[3.3.0.01,3]octane?
The canonical SMILES for 4,7-dimethyltricyclo[3.3.0.01,3]octane is CC1CC2C(C)C3CC23C1.
What is the InChIKey of 4,7-dimethyltricyclo[3.3.0.01,3]octane?
The InChIKey is OEOKNHURQLOUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-6-3-8-7(2)9-5-10(8,9)4-6/h6-9H,3-5H2,1-2H3.
What are the key properties of 4,7-dimethyltricyclo[3.3.0.01,3]octane?
4,7-dimethyltricyclo[3.3.0.01,3]octane has a molecular weight of 136.24 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyltricyclo[3.3.0.01,3]octane is sourced from PubChem (CID 91187511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).