dec-1-ene-4,7-diol

C10H20O2 — CID 175342262

IUPACdec-1-ene-4,7-diol
SMILESC=CCC(O)CCC(O)CCC
InChIInChI=1S/C10H20O2/c1-3-5-9(11)7-8-10(12)6-4-2/h3,9-12H,1,4-8H2,2H3
InChIKeyAGKYOZYOAPADHW-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.86
Rot. Bonds7

About dec-1-ene-4,7-diol

dec-1-ene-4,7-diol (PubChem CID 175342262) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is dec-1-ene-4,7-diol.

Molecular Properties

Compound Namedec-1-ene-4,7-diol
PubChem CID175342262
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namedec-1-ene-4,7-diol
SMILESC=CCC(O)CCC(O)CCC
InChIInChI=1S/C10H20O2/c1-3-5-9(11)7-8-10(12)6-4-2/h3,9-12H,1,4-8H2,2H3
InChIKeyAGKYOZYOAPADHW-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dec-1-ene-4,7-diol?
The IUPAC name of dec-1-ene-4,7-diol (CID 175342262) is dec-1-ene-4,7-diol.
What is the SMILES notation for dec-1-ene-4,7-diol?
The canonical SMILES for dec-1-ene-4,7-diol is C=CCC(O)CCC(O)CCC.
What is the InChIKey of dec-1-ene-4,7-diol?
The InChIKey is AGKYOZYOAPADHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-9(11)7-8-10(12)6-4-2/h3,9-12H,1,4-8H2,2H3.
What are the key properties of dec-1-ene-4,7-diol?
dec-1-ene-4,7-diol has a molecular weight of 172.27 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-1-ene-4,7-diol is sourced from PubChem (CID 175342262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).