(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

C10H16O — CID 12618691

IUPAC(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1C=C[C@@](C)(O)CC1
InChIInChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m1/s1
InChIKeyMKPMHJQMNACGDI-NXEZZACHSA-N
MW152.24 g/mol
LogP2.28
Rot. Bonds1

About (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol

(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 12618691) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID12618691
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1C=C[C@@](C)(O)CC1
InChIInChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m1/s1
InChIKeyMKPMHJQMNACGDI-NXEZZACHSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 12618691) is (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)[C@@H]1C=C[C@@](C)(O)CC1.
What is the InChIKey of (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is MKPMHJQMNACGDI-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,9,11H,1,5,7H2,2-3H3/t9-,10-/m1/s1.
What are the key properties of (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 12618691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).