(1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol

C9H14O — CID 11094697

IUPAC(1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol
SMILESC=CC[C@H]1C=CCC[C@H]1O
InChIInChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2-3,6,8-10H,1,4-5,7H2/t8-,9+/m0/s1
InChIKeyQSMDUMLKTHBNOO-DTWKUNHWSA-N
MW138.21 g/mol
LogP1.89
Rot. Bonds2

About (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol

(1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol (PubChem CID 11094697) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol
PubChem CID11094697
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol
SMILESC=CC[C@H]1C=CCC[C@H]1O
InChIInChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2-3,6,8-10H,1,4-5,7H2/t8-,9+/m0/s1
InChIKeyQSMDUMLKTHBNOO-DTWKUNHWSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.89
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 (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol?
The IUPAC name of (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol (CID 11094697) is (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol.
What is the SMILES notation for (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol?
The canonical SMILES for (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol is C=CC[C@H]1C=CCC[C@H]1O.
What is the InChIKey of (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol?
The InChIKey is QSMDUMLKTHBNOO-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h2-3,6,8-10H,1,4-5,7H2/t8-,9+/m0/s1.
What are the key properties of (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol?
(1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol has a molecular weight of 138.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-prop-2-enylcyclohex-3-en-1-ol is sourced from PubChem (CID 11094697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).