3,7-dimethylbicyclo[3.3.1]non-1-ene

C11H18 — CID 123750976

IUPAC3,7-dimethylbicyclo[3.3.1]non-1-ene
SMILESCC1C=C2CC(C)CC(C2)C1
InChIInChI=1S/C11H18/c1-8-3-10-5-9(2)6-11(4-8)7-10/h3,8-9,11H,4-7H2,1-2H3
InChIKeyTYLDYRXUSGMCFR-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds

About 3,7-dimethylbicyclo[3.3.1]non-1-ene

3,7-dimethylbicyclo[3.3.1]non-1-ene (PubChem CID 123750976) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 3,7-dimethylbicyclo[3.3.1]non-1-ene.

Molecular Properties

Compound Name3,7-dimethylbicyclo[3.3.1]non-1-ene
PubChem CID123750976
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name3,7-dimethylbicyclo[3.3.1]non-1-ene
SMILESCC1C=C2CC(C)CC(C2)C1
InChIInChI=1S/C11H18/c1-8-3-10-5-9(2)6-11(4-8)7-10/h3,8-9,11H,4-7H2,1-2H3
InChIKeyTYLDYRXUSGMCFR-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,4,8-trimethylbicyclo[4.3.1]dec-5-en-3-amine
CID 144522331
7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene
CID 123759085
[(3R,5R)-3,5-dimethylcyclohexen-1-yl]oxy-trimethylsilane
CID 14226865
1,1,3,3,3-pentafluoro-2-[(7-methylbicyclo[3.3.1]non-1(8)-ene-3-carbonyl)oxymethyl]propane-1-sulfonic acid
CID 137435374
3-ethyl-1,5-dimethylcyclohexene
CID 123667989
1-[(3-methyl-3-bicyclo[3.3.1]nonanyl)oxy]-3-[(7-methyl-3-bicyclo[3.3.1]non-1(8)-enyl)oxy]-1,3-dioxopropane-2-sulfonic acid
CID 139525529
1,3-dichloro-5-methylcyclohexene
CID 123341326
2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
CID 145030144
(3S)-1,3-dimethylcyclobutene
CID 58737300
(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
CID 129404741
3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene
CID 123707543
(3,5-dimethylcyclohexylidene)oxidanium
CID 140563406

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylbicyclo[3.3.1]non-1-ene?
The IUPAC name of 3,7-dimethylbicyclo[3.3.1]non-1-ene (CID 123750976) is 3,7-dimethylbicyclo[3.3.1]non-1-ene.
What is the SMILES notation for 3,7-dimethylbicyclo[3.3.1]non-1-ene?
The canonical SMILES for 3,7-dimethylbicyclo[3.3.1]non-1-ene is CC1C=C2CC(C)CC(C2)C1.
What is the InChIKey of 3,7-dimethylbicyclo[3.3.1]non-1-ene?
The InChIKey is TYLDYRXUSGMCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8-3-10-5-9(2)6-11(4-8)7-10/h3,8-9,11H,4-7H2,1-2H3.
What are the key properties of 3,7-dimethylbicyclo[3.3.1]non-1-ene?
3,7-dimethylbicyclo[3.3.1]non-1-ene has a molecular weight of 150.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylbicyclo[3.3.1]non-1-ene is sourced from PubChem (CID 123750976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).