dec-3-ene-2,9-diol

C10H20O2 — CID 57127068

IUPACdec-3-ene-2,9-diol
SMILESCC(O)C=CCCCCC(C)O
InChIInChI=1S/C10H20O2/c1-9(11)7-5-3-4-6-8-10(2)12/h5,7,9-12H,3-4,6,8H2,1-2H3
InChIKeyLDYINSAIJKGADC-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds6

About dec-3-ene-2,9-diol

dec-3-ene-2,9-diol (PubChem CID 57127068) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is dec-3-ene-2,9-diol.

Molecular Properties

Compound Namedec-3-ene-2,9-diol
PubChem CID57127068
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namedec-3-ene-2,9-diol
SMILESCC(O)C=CCCCCC(C)O
InChIInChI=1S/C10H20O2/c1-9(11)7-5-3-4-6-8-10(2)12/h5,7,9-12H,3-4,6,8H2,1-2H3
InChIKeyLDYINSAIJKGADC-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.86
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

11-methyldodec-7-ene-2,9-diol
CID 123206187
(Z,2R)-non-3-en-2-ol
CID 11040800
(E)-non-7-en-2-ol
CID 14615052
undec-3-en-2-ol
CID 174515693
(E,2R)-dec-7-en-2-ol
CID 89151124
(Z)-tridec-7-en-2-ol
CID 89138962
heptadec-9-en-2-ol
CID 54154410
(E)-undec-8-en-2-ol
CID 118316981
(Z)-henicos-12-en-2-ol
CID 141141779
(E)-tridec-8-en-2-ol
CID 173250287
icos-9-en-2-ol
CID 91416664
trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide
CID 11851403

Frequently Asked Questions

What is the IUPAC name of dec-3-ene-2,9-diol?
The IUPAC name of dec-3-ene-2,9-diol (CID 57127068) is dec-3-ene-2,9-diol.
What is the SMILES notation for dec-3-ene-2,9-diol?
The canonical SMILES for dec-3-ene-2,9-diol is CC(O)C=CCCCCC(C)O.
What is the InChIKey of dec-3-ene-2,9-diol?
The InChIKey is LDYINSAIJKGADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(11)7-5-3-4-6-8-10(2)12/h5,7,9-12H,3-4,6,8H2,1-2H3.
What are the key properties of dec-3-ene-2,9-diol?
dec-3-ene-2,9-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-3-ene-2,9-diol is sourced from PubChem (CID 57127068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).