(1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene

C11H18 — CID 123479631

IUPAC(1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene
SMILESCC1=C(C)CC[C@H]2C[C@H]2CC1
InChIInChI=1S/C11H18/c1-8-3-5-10-7-11(10)6-4-9(8)2/h10-11H,3-7H2,1-2H3/t10-,11+
InChIKeyKVCSQBJAXXDPTO-PHIMTYICSA-N
MW150.26 g/mol
LogP3.53
Rot. Bonds

About (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene

(1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene (PubChem CID 123479631) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene.

Molecular Properties

Compound Name(1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene
PubChem CID123479631
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene
SMILESCC1=C(C)CC[C@H]2C[C@H]2CC1
InChIInChI=1S/C11H18/c1-8-3-5-10-7-11(10)6-4-9(8)2/h10-11H,3-7H2,1-2H3/t10-,11+
InChIKeyKVCSQBJAXXDPTO-PHIMTYICSA-N
XLogP3.53
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 ≤ 53.53
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

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CID 595941
1,2,3-Trimethylcyclohex-1-ene
CID 12537123
Cyclopentene, 1,3-dimethyl-2-(1-methylethyl)-
CID 579282
9-Cyclopropylidenebicyclo[6.1.0]nonane
CID 15438127
1-Hexyl-2-(3-methylbut-2-enyl)cyclopropane
CID 15457618
Tetramethyloctene
CID 18915868
Trimethylcycloheptene
CID 59796493
2,4-Dimethyl-1-propan-2-ylcyclohexene
CID 86080885
Dimethylethyl cyclohexene
CID 129726891
Tetramethylundecene
CID 156827842
(5S)-2-(3,6-dimethylheptan-2-yl)bicyclo[3.1.0]hex-1-ene
CID 163658421
1-(Isopropylidenecyclopropyl)hexane
CID 32479

Frequently Asked Questions

What is the IUPAC name of (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene?
The IUPAC name of (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene (CID 123479631) is (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene.
What is the SMILES notation for (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene?
The canonical SMILES for (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene is CC1=C(C)CC[C@H]2C[C@H]2CC1.
What is the InChIKey of (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene?
The InChIKey is KVCSQBJAXXDPTO-PHIMTYICSA-N. The full InChI is InChI=1S/C11H18/c1-8-3-5-10-7-11(10)6-4-9(8)2/h10-11H,3-7H2,1-2H3/t10-,11+.
What are the key properties of (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene?
(1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene has a molecular weight of 150.26 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8R)-4,5-dimethylbicyclo[6.1.0]non-4-ene is sourced from PubChem (CID 123479631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).