2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane

C14H25ClO — CID 103065994

IUPAC2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane
SMILESC=C(CCl)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H25ClO/c1-10(2)13-6-5-11(3)7-14(13)16-9-12(4)8-15/h10-11,13-14H,4-9H2,1-3H3
InChIKeyRYUVRRWRHQMJMZ-UHFFFAOYSA-N
MW244.81 g/mol
LogP4.26
Rot. Bonds5

About 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane

2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 103065994) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane
PubChem CID103065994
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane
SMILESC=C(CCl)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H25ClO/c1-10(2)13-6-5-11(3)7-14(13)16-9-12(4)8-15/h10-11,13-14H,4-9H2,1-3H3
InChIKeyRYUVRRWRHQMJMZ-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 54.26
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'}

Analyze 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane (CID 103065994) is 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane is C=C(CCl)COC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is RYUVRRWRHQMJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClO/c1-10(2)13-6-5-11(3)7-14(13)16-9-12(4)8-15/h10-11,13-14H,4-9H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane?
2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 244.81 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)prop-2-enoxy]-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 103065994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).