deca-4,6-diene-1,2-diol

C10H18O2 — CID 91327599

IUPACdeca-4,6-diene-1,2-diol
SMILESCCCC=CC=CCC(O)CO
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-10(12)9-11/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyPEFOMWJFIPDOMC-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds6

About deca-4,6-diene-1,2-diol

deca-4,6-diene-1,2-diol (PubChem CID 91327599) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is deca-4,6-diene-1,2-diol.

Molecular Properties

Compound Namedeca-4,6-diene-1,2-diol
PubChem CID91327599
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namedeca-4,6-diene-1,2-diol
SMILESCCCC=CC=CCC(O)CO
InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-10(12)9-11/h4-7,10-12H,2-3,8-9H2,1H3
InChIKeyPEFOMWJFIPDOMC-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze deca-4,6-diene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E,6E)-2-methyldeca-4,6-diene
CID 102247745
(E)-dec-4-ene-1,2-diol
CID 13288576
nona-2,4-diene-1,7-diol
CID 54560348
hexadeca-2,4,6,8,10-pentaene-1,13-diol
CID 71373655
hex-4-ene-1,2,6-triol
CID 140660957
(10Z)-hexadeca-10,12-dien-1-ol
CID 87450795
(5S)-5,6-dihydroxyhex-2-enoic acid
CID 56608082
(2R,4R)-nonadec-6-ene-1,2,4-triol
CID 162937145
(E,2S,4R)-nonadec-6-ene-1,2,4-triol
CID 56590714
3-[(E)-dec-6-enoxy]propane-1,2-diol
CID 101275411
(6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol
CID 177468208
octa-2,4-dien-1-amine
CID 3847298

Frequently Asked Questions

What is the IUPAC name of deca-4,6-diene-1,2-diol?
The IUPAC name of deca-4,6-diene-1,2-diol (CID 91327599) is deca-4,6-diene-1,2-diol.
What is the SMILES notation for deca-4,6-diene-1,2-diol?
The canonical SMILES for deca-4,6-diene-1,2-diol is CCCC=CC=CCC(O)CO.
What is the InChIKey of deca-4,6-diene-1,2-diol?
The InChIKey is PEFOMWJFIPDOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-10(12)9-11/h4-7,10-12H,2-3,8-9H2,1H3.
What are the key properties of deca-4,6-diene-1,2-diol?
deca-4,6-diene-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deca-4,6-diene-1,2-diol is sourced from PubChem (CID 91327599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).