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

C11H18 — CID 140637647

IUPAC(1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene
SMILESC/C1=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/b9-8-/t10-,11+
InChIKeyKVCSQBJAXXDPTO-PXMGBRLRSA-N
MW150.26 g/mol
LogP3.53
Rot. Bonds

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

(1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene (PubChem CID 140637647) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene.

Molecular Properties

Compound Name(1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene
PubChem CID140637647
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene
SMILESC/C1=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/b9-8-/t10-,11+
InChIKeyKVCSQBJAXXDPTO-PXMGBRLRSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene?
The IUPAC name of (1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene (CID 140637647) is (1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene.
What is the SMILES notation for (1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene?
The canonical SMILES for (1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene is C/C1=C(\C)CC[C@H]2C[C@H]2CC1.
What is the InChIKey of (1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene?
The InChIKey is KVCSQBJAXXDPTO-PXMGBRLRSA-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/b9-8-/t10-,11+.
What are the key properties of (1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene?
(1R,4Z,8S)-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 (1R,4Z,8S)-4,5-dimethylbicyclo[6.1.0]non-4-ene is sourced from PubChem (CID 140637647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).