5-ethenyl-5-propyloctane-2,4-diol

C13H26O2 — CID 140813973

IUPAC5-ethenyl-5-propyloctane-2,4-diol
SMILESC=CC(CCC)(CCC)C(O)CC(C)O
InChIInChI=1S/C13H26O2/c1-5-8-13(7-3,9-6-2)12(15)10-11(4)14/h7,11-12,14-15H,3,5-6,8-10H2,1-2,4H3
InChIKeyXANKFUFDJFAMBH-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.89
Rot. Bonds8

About 5-ethenyl-5-propyloctane-2,4-diol

5-ethenyl-5-propyloctane-2,4-diol (PubChem CID 140813973) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-ethenyl-5-propyloctane-2,4-diol.

Molecular Properties

Compound Name5-ethenyl-5-propyloctane-2,4-diol
PubChem CID140813973
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name5-ethenyl-5-propyloctane-2,4-diol
SMILESC=CC(CCC)(CCC)C(O)CC(C)O
InChIInChI=1S/C13H26O2/c1-5-8-13(7-3,9-6-2)12(15)10-11(4)14/h7,11-12,14-15H,3,5-6,8-10H2,1-2,4H3
InChIKeyXANKFUFDJFAMBH-UHFFFAOYSA-N
XLogP2.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethyl-1-decen-4-ol
CID 14120387
(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 11276209
1,3-Propanediol, 2-(hydroxymethyl)-2-(8-nonenyl)-
CID 11521477
3,3-Dimethyldodec-1-en-4-ol
CID 13899555
(1R,2S,3R,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
CID 57681721
(1S,3R,4R)-1-cyclohexyl-4-methylhex-5-ene-1,3-diol
CID 57681724
(1R,2S,3S)-1-cyclohexyl-2-methylhex-5-ene-1,3-diol
CID 57681732
(1S,3R,4S)-1-cyclohexyl-4-methylhex-5-ene-1,3-diol
CID 57681734
5,5-Dimethylhept-6-ene-1,4-diol
CID 85973362
6,10-Dimethylundec-1-en-4-ol
CID 14400174
6,8,8-Trimethylnon-1-en-4-ol
CID 88756750
2-Butyl-2-ethenyl-3-fluorohexan-1-ol
CID 166974440

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-5-propyloctane-2,4-diol?
The IUPAC name of 5-ethenyl-5-propyloctane-2,4-diol (CID 140813973) is 5-ethenyl-5-propyloctane-2,4-diol.
What is the SMILES notation for 5-ethenyl-5-propyloctane-2,4-diol?
The canonical SMILES for 5-ethenyl-5-propyloctane-2,4-diol is C=CC(CCC)(CCC)C(O)CC(C)O.
What is the InChIKey of 5-ethenyl-5-propyloctane-2,4-diol?
The InChIKey is XANKFUFDJFAMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-8-13(7-3,9-6-2)12(15)10-11(4)14/h7,11-12,14-15H,3,5-6,8-10H2,1-2,4H3.
What are the key properties of 5-ethenyl-5-propyloctane-2,4-diol?
5-ethenyl-5-propyloctane-2,4-diol has a molecular weight of 214.35 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-5-propyloctane-2,4-diol is sourced from PubChem (CID 140813973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).