1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane

C11H19ClO — CID 103065984

IUPAC1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane
SMILESC=C(CCl)COC1CCC(C)CC1
InChIInChI=1S/C11H19ClO/c1-9-3-5-11(6-4-9)13-8-10(2)7-12/h9,11H,2-8H2,1H3
InChIKeyXHVQKBBPBPONRJ-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.38
Rot. Bonds4

About 1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane

1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane (PubChem CID 103065984) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane.

Molecular Properties

Compound Name1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane
PubChem CID103065984
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane
SMILESC=C(CCl)COC1CCC(C)CC1
InChIInChI=1S/C11H19ClO/c1-9-3-5-11(6-4-9)13-8-10(2)7-12/h9,11H,2-8H2,1H3
InChIKeyXHVQKBBPBPONRJ-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane?
The IUPAC name of 1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane (CID 103065984) is 1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane.
What is the SMILES notation for 1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane?
The canonical SMILES for 1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane is C=C(CCl)COC1CCC(C)CC1.
What is the InChIKey of 1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane?
The InChIKey is XHVQKBBPBPONRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c1-9-3-5-11(6-4-9)13-8-10(2)7-12/h9,11H,2-8H2,1H3.
What are the key properties of 1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane?
1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane has a molecular weight of 202.72 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)prop-2-enoxy]-4-methylcyclohexane is sourced from PubChem (CID 103065984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).