(1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol

C10H16O2 — CID 53257409

IUPAC(1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
SMILESC=C(C)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4,8-12H,1,5H2,2-3H3/t8-,9+,10+/m0/s1
InChIKeyPFGFINDRFRTQEP-IVZWLZJFSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds1

About (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol

(1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol (PubChem CID 53257409) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
PubChem CID53257409
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
SMILESC=C(C)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4,8-12H,1,5H2,2-3H3/t8-,9+,10+/m0/s1
InChIKeyPFGFINDRFRTQEP-IVZWLZJFSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol?
The IUPAC name of (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol (CID 53257409) is (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol?
The canonical SMILES for (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol is C=C(C)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol?
The InChIKey is PFGFINDRFRTQEP-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4,8-12H,1,5H2,2-3H3/t8-,9+,10+/m0/s1.
What are the key properties of (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol?
(1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 53257409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).