1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene

C10H15Cl — CID 11105804

IUPAC1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(CCl)CC1
InChIInChI=1S/C10H15Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-7H2,2H3
InChIKeyWONQAYATGSHTGI-UHFFFAOYSA-N
MW170.68 g/mol
LogP3.53
Rot. Bonds2

About 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene

1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene (PubChem CID 11105804) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene
PubChem CID11105804
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CC=C(CCl)CC1
InChIInChI=1S/C10H15Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-7H2,2H3
InChIKeyWONQAYATGSHTGI-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene (CID 11105804) is 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CC=C(CCl)CC1.
What is the InChIKey of 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene?
The InChIKey is WONQAYATGSHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10H,1,4-7H2,2H3.
What are the key properties of 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene?
1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene has a molecular weight of 170.68 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 11105804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).