(1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol

C10H15ClO — CID 44604141

IUPAC(1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol
SMILESC=C(CCl)[C@H]1CC=C(C)[C@@H](O)C1
InChIInChI=1S/C10H15ClO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,9-10,12H,2,4-6H2,1H3/t9-,10-/m0/s1
InChIKeyVOFNYNDPDBWCMA-UWVGGRQHSA-N
MW186.68 g/mol
LogP2.50
Rot. Bonds2

About (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol

(1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol (PubChem CID 44604141) has the molecular formula C10H15ClO and a molecular weight of 186.68 g/mol. Its IUPAC name is (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol
PubChem CID44604141
Molecular FormulaC10H15ClO
Molecular Weight186.68 g/mol
Exact Mass186.08
IUPAC Name(1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol
SMILESC=C(CCl)[C@H]1CC=C(C)[C@@H](O)C1
InChIInChI=1S/C10H15ClO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,9-10,12H,2,4-6H2,1H3/t9-,10-/m0/s1
InChIKeyVOFNYNDPDBWCMA-UWVGGRQHSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.68
LogP ≤ 52.50
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 (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol?
The IUPAC name of (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol (CID 44604141) is (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol is C=C(CCl)[C@H]1CC=C(C)[C@@H](O)C1.
What is the InChIKey of (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol?
The InChIKey is VOFNYNDPDBWCMA-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H15ClO/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,9-10,12H,2,4-6H2,1H3/t9-,10-/m0/s1.
What are the key properties of (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol?
(1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol has a molecular weight of 186.68 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 44604141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).