(E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol

C12H18O — CID 68642835

IUPAC(E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol
SMILESCC/C=C(/O)CCC1=CC=CCC1
InChIInChI=1S/C12H18O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-4,6-7,13H,2,5,8-10H2,1H3/b12-6+
InChIKeyDAZGTBPHQNMPBD-WUXMJOGZSA-N
MW178.27 g/mol
LogP3.89
Rot. Bonds4

About (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol

(E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol (PubChem CID 68642835) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol.

Molecular Properties

Compound Name(E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol
PubChem CID68642835
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol
SMILESCC/C=C(/O)CCC1=CC=CCC1
InChIInChI=1S/C12H18O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-4,6-7,13H,2,5,8-10H2,1H3/b12-6+
InChIKeyDAZGTBPHQNMPBD-WUXMJOGZSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol?
The IUPAC name of (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol (CID 68642835) is (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol.
What is the SMILES notation for (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol?
The canonical SMILES for (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol is CC/C=C(/O)CCC1=CC=CCC1.
What is the InChIKey of (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol?
The InChIKey is DAZGTBPHQNMPBD-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H18O/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h3-4,6-7,13H,2,5,8-10H2,1H3/b12-6+.
What are the key properties of (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol?
(E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol has a molecular weight of 178.27 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol is sourced from PubChem (CID 68642835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).