2-propylidenedecane-1,1-diol

C13H26O2 — CID 174657973

IUPAC2-propylidenedecane-1,1-diol
SMILESCCC=C(CCCCCCCC)C(O)O
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-11-12(10-4-2)13(14)15/h10,13-15H,3-9,11H2,1-2H3
InChIKeyCVSXHEUVFRDRFE-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.38
Rot. Bonds9

About 2-propylidenedecane-1,1-diol

2-propylidenedecane-1,1-diol (PubChem CID 174657973) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-propylidenedecane-1,1-diol.

Molecular Properties

Compound Name2-propylidenedecane-1,1-diol
PubChem CID174657973
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-propylidenedecane-1,1-diol
SMILESCCC=C(CCCCCCCC)C(O)O
InChIInChI=1S/C13H26O2/c1-3-5-6-7-8-9-11-12(10-4-2)13(14)15/h10,13-15H,3-9,11H2,1-2H3
InChIKeyCVSXHEUVFRDRFE-UHFFFAOYSA-N
XLogP3.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylpropyl)dec-3-ene
CID 123648559
4-methylheptadec-3-ene
CID 59169426
octane;propan-2-ol
CID 160746796
(Z)-dodec-3-en-4-amine
CID 21249690
4-fluoroundec-3-ene
CID 141013194
4-methyltetradec-3-en-2-ol
CID 71428210
N-methylnonadec-3-en-4-amine
CID 174311135
(3E)-3-hexylnona-3,8-dien-2-ol
CID 101365454
4-propylnon-3-ene
CID 57321984
(E)-4-ethyltetradec-3-en-2-ol
CID 101429656
19-(1-hydroxyethyl)-19-octadecanoylheptatriacontane-18,20-dione
CID 140562596
3-propyldodec-3-en-2-ol
CID 71375191

Frequently Asked Questions

What is the IUPAC name of 2-propylidenedecane-1,1-diol?
The IUPAC name of 2-propylidenedecane-1,1-diol (CID 174657973) is 2-propylidenedecane-1,1-diol.
What is the SMILES notation for 2-propylidenedecane-1,1-diol?
The canonical SMILES for 2-propylidenedecane-1,1-diol is CCC=C(CCCCCCCC)C(O)O.
What is the InChIKey of 2-propylidenedecane-1,1-diol?
The InChIKey is CVSXHEUVFRDRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-5-6-7-8-9-11-12(10-4-2)13(14)15/h10,13-15H,3-9,11H2,1-2H3.
What are the key properties of 2-propylidenedecane-1,1-diol?
2-propylidenedecane-1,1-diol has a molecular weight of 214.35 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylidenedecane-1,1-diol is sourced from PubChem (CID 174657973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).