3,4-dipropylheptane-2,4-diol

C13H28O2 — CID 135285239

IUPAC3,4-dipropylheptane-2,4-diol
SMILESCCCC(C(C)O)C(O)(CCC)CCC
InChIInChI=1S/C13H28O2/c1-5-8-12(11(4)14)13(15,9-6-2)10-7-3/h11-12,14-15H,5-10H2,1-4H3
InChIKeyYZMOXWJSGVQWOR-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.11
Rot. Bonds8

About 3,4-dipropylheptane-2,4-diol

3,4-dipropylheptane-2,4-diol (PubChem CID 135285239) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 3,4-dipropylheptane-2,4-diol.

Molecular Properties

Compound Name3,4-dipropylheptane-2,4-diol
PubChem CID135285239
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name3,4-dipropylheptane-2,4-diol
SMILESCCCC(C(C)O)C(O)(CCC)CCC
InChIInChI=1S/C13H28O2/c1-5-8-12(11(4)14)13(15,9-6-2)10-7-3/h11-12,14-15H,5-10H2,1-4H3
InChIKeyYZMOXWJSGVQWOR-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylheptane-2,3,4-triol
CID 158291327
1-amino-3-propylhexane-2,3-diol
CID 90113292
hexane-2,3-diol
CID 159913798
(2R)-3-methylhexan-2-ol
CID 88692749
(2R)-pentan-2-ol
CID 7014876
ethane;pentan-2-ol;1,1,1-trifluorobutane
CID 143009498
2,4-dimethylheptane-2,3,4-triol
CID 141035400
3-aminohexane-2,3-diol
CID 87595978
3-butylheptane-2,3-diol
CID 11008688
2-methylbutan-2-ol;pentan-2-ol
CID 157230462
3-methyl-3-propylhexan-2-ol
CID 20501676
N,N'-bis[(3R)-4-hydroxy-2-methyl-4-propylheptan-3-yl]propanediamide
CID 87652824

Frequently Asked Questions

What is the IUPAC name of 3,4-dipropylheptane-2,4-diol?
The IUPAC name of 3,4-dipropylheptane-2,4-diol (CID 135285239) is 3,4-dipropylheptane-2,4-diol.
What is the SMILES notation for 3,4-dipropylheptane-2,4-diol?
The canonical SMILES for 3,4-dipropylheptane-2,4-diol is CCCC(C(C)O)C(O)(CCC)CCC.
What is the InChIKey of 3,4-dipropylheptane-2,4-diol?
The InChIKey is YZMOXWJSGVQWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-5-8-12(11(4)14)13(15,9-6-2)10-7-3/h11-12,14-15H,5-10H2,1-4H3.
What are the key properties of 3,4-dipropylheptane-2,4-diol?
3,4-dipropylheptane-2,4-diol has a molecular weight of 216.36 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dipropylheptane-2,4-diol is sourced from PubChem (CID 135285239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).