2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol

C10H17ClO — CID 14138964

IUPAC2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol
SMILESC=C(CCl)C1CCC(C)CC1O
InChIInChI=1S/C10H17ClO/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7,9-10,12H,2-6H2,1H3
InChIKeyXOTRDDZNJYMXNZ-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.58
Rot. Bonds2

About 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol

2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol (PubChem CID 14138964) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol
PubChem CID14138964
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol
SMILESC=C(CCl)C1CCC(C)CC1O
InChIInChI=1S/C10H17ClO/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7,9-10,12H,2-6H2,1H3
InChIKeyXOTRDDZNJYMXNZ-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.58
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 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol?
The IUPAC name of 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol (CID 14138964) is 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol is C=C(CCl)C1CCC(C)CC1O.
What is the InChIKey of 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol?
The InChIKey is XOTRDDZNJYMXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-7-3-4-9(8(2)6-11)10(12)5-7/h7,9-10,12H,2-6H2,1H3.
What are the key properties of 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol?
2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol has a molecular weight of 188.70 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroprop-1-en-2-yl)-5-methylcyclohexan-1-ol is sourced from PubChem (CID 14138964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).