3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol

C11H19ClO — CID 11030900

IUPAC3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol
SMILESC=C(CCl)CC(O)C1CCCCC1
InChIInChI=1S/C11H19ClO/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h10-11,13H,1-8H2
InChIKeyQCVUJODSXBRETN-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.11
Rot. Bonds4

About 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol

3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol (PubChem CID 11030900) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol.

Molecular Properties

Compound Name3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol
PubChem CID11030900
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol
SMILESC=C(CCl)CC(O)C1CCCCC1
InChIInChI=1S/C11H19ClO/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h10-11,13H,1-8H2
InChIKeyQCVUJODSXBRETN-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
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 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol?
The IUPAC name of 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol (CID 11030900) is 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol.
What is the SMILES notation for 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol?
The canonical SMILES for 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol is C=C(CCl)CC(O)C1CCCCC1.
What is the InChIKey of 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol?
The InChIKey is QCVUJODSXBRETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h10-11,13H,1-8H2.
What are the key properties of 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol?
3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol has a molecular weight of 202.72 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-cyclohexylbut-3-en-1-ol is sourced from PubChem (CID 11030900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).