(2S)-1-cyclohexylbut-3-en-2-ol

C10H18O — CID 14261104

IUPAC(2S)-1-cyclohexylbut-3-en-2-ol
SMILESC=C[C@@H](O)CC1CCCCC1
InChIInChI=1S/C10H18O/c1-2-10(11)8-9-6-4-3-5-7-9/h2,9-11H,1,3-8H2/t10-/m1/s1
InChIKeyXYPCFYDZWKTHRT-SNVBAGLBSA-N
MW154.25 g/mol
LogP2.50
Rot. Bonds3

About (2S)-1-cyclohexylbut-3-en-2-ol

(2S)-1-cyclohexylbut-3-en-2-ol (PubChem CID 14261104) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2S)-1-cyclohexylbut-3-en-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclohexylbut-3-en-2-ol
PubChem CID14261104
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2S)-1-cyclohexylbut-3-en-2-ol
SMILESC=C[C@@H](O)CC1CCCCC1
InChIInChI=1S/C10H18O/c1-2-10(11)8-9-6-4-3-5-7-9/h2,9-11H,1,3-8H2/t10-/m1/s1
InChIKeyXYPCFYDZWKTHRT-SNVBAGLBSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.50
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 (2S)-1-cyclohexylbut-3-en-2-ol?
The IUPAC name of (2S)-1-cyclohexylbut-3-en-2-ol (CID 14261104) is (2S)-1-cyclohexylbut-3-en-2-ol.
What is the SMILES notation for (2S)-1-cyclohexylbut-3-en-2-ol?
The canonical SMILES for (2S)-1-cyclohexylbut-3-en-2-ol is C=C[C@@H](O)CC1CCCCC1.
What is the InChIKey of (2S)-1-cyclohexylbut-3-en-2-ol?
The InChIKey is XYPCFYDZWKTHRT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O/c1-2-10(11)8-9-6-4-3-5-7-9/h2,9-11H,1,3-8H2/t10-/m1/s1.
What are the key properties of (2S)-1-cyclohexylbut-3-en-2-ol?
(2S)-1-cyclohexylbut-3-en-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexylbut-3-en-2-ol is sourced from PubChem (CID 14261104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).