deca-1,5-diene-3,4-diol

C10H18O2 — CID 130238346

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

About deca-1,5-diene-3,4-diol

deca-1,5-diene-3,4-diol (PubChem CID 130238346) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is deca-1,5-diene-3,4-diol.

Molecular Properties

Compound Namedeca-1,5-diene-3,4-diol
PubChem CID130238346
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namedeca-1,5-diene-3,4-diol
SMILESC=CC(O)C(O)C=CCCCC
InChIInChI=1S/C10H18O2/c1-3-5-6-7-8-10(12)9(11)4-2/h4,7-12H,2-3,5-6H2,1H3
InChIKeyFWCVNYDCCRQOCD-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,2S,3R)-non-4-ene-2,3-diol
CID 11321105
(E)-hept-2-ene-1,1-diol
CID 87660901
(3S,4Z)-undeca-1,4-dien-3-ol
CID 129408350
(4Z)-3-ethylnona-1,4-diene
CID 178125960
(Z,2R)-non-3-en-2-ol
CID 11040800
(3R,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
CID 102184429
(3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol;(3R,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
CID 87532668
undec-3-en-2-ol
CID 174515693
[(E,2S,3R)-1,3-dihydroxydodec-4-en-2-yl]azanium
CID 126961029
(2E,4S,5S,6E)-4-(methoxymethoxy)undeca-2,6-dien-5-ol
CID 134992697
(10S,11S)-10,11-dihydroxyoctadeca-8,12-dienoic acid
CID 162998890
(Z,3S)-2,2-dimethylnon-4-en-3-ol
CID 129365171

Frequently Asked Questions

What is the IUPAC name of deca-1,5-diene-3,4-diol?
The IUPAC name of deca-1,5-diene-3,4-diol (CID 130238346) is deca-1,5-diene-3,4-diol.
What is the SMILES notation for deca-1,5-diene-3,4-diol?
The canonical SMILES for deca-1,5-diene-3,4-diol is C=CC(O)C(O)C=CCCCC.
What is the InChIKey of deca-1,5-diene-3,4-diol?
The InChIKey is FWCVNYDCCRQOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-6-7-8-10(12)9(11)4-2/h4,7-12H,2-3,5-6H2,1H3.
What are the key properties of deca-1,5-diene-3,4-diol?
deca-1,5-diene-3,4-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-1,5-diene-3,4-diol is sourced from PubChem (CID 130238346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).