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

C11H18O — CID 130265222

IUPAC(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1C=C[C@@](O)(CC)CC1
InChIInChI=1S/C11H18O/c1-4-11(12)7-5-10(6-8-11)9(2)3/h5,7,10,12H,2,4,6,8H2,1,3H3/t10-,11+/m1/s1
InChIKeyHGADRDCDIWLIMY-MNOVXSKESA-N
MW166.26 g/mol
LogP2.67
Rot. Bonds2

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

(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 130265222) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID130265222
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1C=C[C@@](O)(CC)CC1
InChIInChI=1S/C11H18O/c1-4-11(12)7-5-10(6-8-11)9(2)3/h5,7,10,12H,2,4,6,8H2,1,3H3/t10-,11+/m1/s1
InChIKeyHGADRDCDIWLIMY-MNOVXSKESA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.67
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,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of (1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 130265222) is (1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)[C@@H]1C=C[C@@](O)(CC)CC1.
What is the InChIKey of (1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is HGADRDCDIWLIMY-MNOVXSKESA-N. The full InChI is InChI=1S/C11H18O/c1-4-11(12)7-5-10(6-8-11)9(2)3/h5,7,10,12H,2,4,6,8H2,1,3H3/t10-,11+/m1/s1.
What are the key properties of (1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 130265222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).