(Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol

C17H30O2 — CID 46914637

IUPAC(Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol
SMILESO[C@H](/C=C\C[C@H](O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h7,12,14-19H,1-6,8-11,13H2/b12-7-/t16-,17+/m1/s1
InChIKeySRCGUKDIQPHBCG-FFYLZMLBSA-N
MW266.42 g/mol
LogP3.82
Rot. Bonds5

About (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol

(Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol (PubChem CID 46914637) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol.

Molecular Properties

Compound Name(Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol
PubChem CID46914637
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol
SMILESO[C@H](/C=C\C[C@H](O)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H30O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h7,12,14-19H,1-6,8-11,13H2/b12-7-/t16-,17+/m1/s1
InChIKeySRCGUKDIQPHBCG-FFYLZMLBSA-N
XLogP3.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.82
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 (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol?
The IUPAC name of (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol (CID 46914637) is (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol.
What is the SMILES notation for (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol?
The canonical SMILES for (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol is O[C@H](/C=C\C[C@H](O)C1CCCCC1)C1CCCCC1.
What is the InChIKey of (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol?
The InChIKey is SRCGUKDIQPHBCG-FFYLZMLBSA-N. The full InChI is InChI=1S/C17H30O2/c18-16(14-8-3-1-4-9-14)12-7-13-17(19)15-10-5-2-6-11-15/h7,12,14-19H,1-6,8-11,13H2/b12-7-/t16-,17+/m1/s1.
What are the key properties of (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol?
(Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol has a molecular weight of 266.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S,5S)-1,5-dicyclohexylpent-2-ene-1,5-diol is sourced from PubChem (CID 46914637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).