[(1R)-6-methylidenecyclohex-2-en-1-yl]benzene

C13H14 — CID 100969948

IUPAC[(1R)-6-methylidenecyclohex-2-en-1-yl]benzene
SMILESC=C1CCC=C[C@H]1c1ccccc1
InChIInChI=1S/C13H14/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-4,6,8-10,13H,1,5,7H2/t13-/m1/s1
InChIKeyAMQXMBNMTYOGRS-CYBMUJFWSA-N
MW170.25 g/mol
LogP3.68
Rot. Bonds1

About [(1R)-6-methylidenecyclohex-2-en-1-yl]benzene

[(1R)-6-methylidenecyclohex-2-en-1-yl]benzene (PubChem CID 100969948) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1R)-6-methylidenecyclohex-2-en-1-yl]benzene.

Molecular Properties

Compound Name[(1R)-6-methylidenecyclohex-2-en-1-yl]benzene
PubChem CID100969948
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name[(1R)-6-methylidenecyclohex-2-en-1-yl]benzene
SMILESC=C1CCC=C[C@H]1c1ccccc1
InChIInChI=1S/C13H14/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-4,6,8-10,13H,1,5,7H2/t13-/m1/s1
InChIKeyAMQXMBNMTYOGRS-CYBMUJFWSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.68
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)-6-methylidenecyclohex-2-en-1-yl]benzene?
The IUPAC name of [(1R)-6-methylidenecyclohex-2-en-1-yl]benzene (CID 100969948) is [(1R)-6-methylidenecyclohex-2-en-1-yl]benzene.
What is the SMILES notation for [(1R)-6-methylidenecyclohex-2-en-1-yl]benzene?
The canonical SMILES for [(1R)-6-methylidenecyclohex-2-en-1-yl]benzene is C=C1CCC=C[C@H]1c1ccccc1.
What is the InChIKey of [(1R)-6-methylidenecyclohex-2-en-1-yl]benzene?
The InChIKey is AMQXMBNMTYOGRS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-4,6,8-10,13H,1,5,7H2/t13-/m1/s1.
What are the key properties of [(1R)-6-methylidenecyclohex-2-en-1-yl]benzene?
[(1R)-6-methylidenecyclohex-2-en-1-yl]benzene has a molecular weight of 170.25 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-methylidenecyclohex-2-en-1-yl]benzene is sourced from PubChem (CID 100969948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).