(1S)-1-cyclohexylpent-4-ene-1,2-diol

C11H20O2 — CID 134978643

IUPAC(1S)-1-cyclohexylpent-4-ene-1,2-diol
SMILESC=CCC(O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h2,9-13H,1,3-8H2/t10?,11-/m0/s1
InChIKeyFQDSVSADXDLULF-DTIOYNMSSA-N
MW184.28 g/mol
LogP1.86
Rot. Bonds4

About (1S)-1-cyclohexylpent-4-ene-1,2-diol

(1S)-1-cyclohexylpent-4-ene-1,2-diol (PubChem CID 134978643) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1S)-1-cyclohexylpent-4-ene-1,2-diol.

Molecular Properties

Compound Name(1S)-1-cyclohexylpent-4-ene-1,2-diol
PubChem CID134978643
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1S)-1-cyclohexylpent-4-ene-1,2-diol
SMILESC=CCC(O)[C@@H](O)C1CCCCC1
InChIInChI=1S/C11H20O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h2,9-13H,1,3-8H2/t10?,11-/m0/s1
InChIKeyFQDSVSADXDLULF-DTIOYNMSSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-en-1-yl)cyclohexan-1-ol
CID 11789291
2-Ethenylcyclohexan-1-ol
CID 5314569
1-Cyclohexyl-2-propen-1-ol
CID 138196
(A+/-)-trans-2-allyl-cyclohexanol
CID 10909657
1-Allyl-cyclohexane-1,2-diol
CID 534396
2-(But-3-en-1-yl)cyclohexan-1-ol
CID 3014199
1-Cyclohexyl-but-3-EN-1-OL
CID 10942685
(1S)-1-cyclohexylbut-3-en-1-ol
CID 11019084
Cyclohexanol, 2-(3-butenyl)-, trans-
CID 44152989
Cyclohexanemethanol, alpha-(2-methylallyl)-
CID 565338
1-Cyclohexyl-2-methylbut-3-en-1-ol
CID 11275241
(1R,2S)-1-cyclohexyl-2-methylbut-3-en-1-ol
CID 13331993

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexylpent-4-ene-1,2-diol?
The IUPAC name of (1S)-1-cyclohexylpent-4-ene-1,2-diol (CID 134978643) is (1S)-1-cyclohexylpent-4-ene-1,2-diol.
What is the SMILES notation for (1S)-1-cyclohexylpent-4-ene-1,2-diol?
The canonical SMILES for (1S)-1-cyclohexylpent-4-ene-1,2-diol is C=CCC(O)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexylpent-4-ene-1,2-diol?
The InChIKey is FQDSVSADXDLULF-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H20O2/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h2,9-13H,1,3-8H2/t10?,11-/m0/s1.
What are the key properties of (1S)-1-cyclohexylpent-4-ene-1,2-diol?
(1S)-1-cyclohexylpent-4-ene-1,2-diol has a molecular weight of 184.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexylpent-4-ene-1,2-diol is sourced from PubChem (CID 134978643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).