heptane-3,4-diol;heptane-3,5-diol

C14H32O4 — CID 159964134

IUPACheptane-3,4-diol;heptane-3,5-diol
SMILESCCC(O)CC(O)CC.CCCC(O)C(O)CC
InChIInChI=1S/2C7H16O2/c1-3-6(8)5-7(9)4-2;1-3-5-7(9)6(8)4-2/h2*6-9H,3-5H2,1-2H3
InChIKeyODSARJZARTYGPI-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.84
Rot. Bonds8

About heptane-3,4-diol;heptane-3,5-diol

heptane-3,4-diol;heptane-3,5-diol (PubChem CID 159964134) has the molecular formula C14H32O4 and a molecular weight of 264.41 g/mol. Its IUPAC name is heptane-3,4-diol;heptane-3,5-diol.

Molecular Properties

Compound Nameheptane-3,4-diol;heptane-3,5-diol
PubChem CID159964134
Molecular FormulaC14H32O4
Molecular Weight264.41 g/mol
Exact Mass264.23
IUPAC Nameheptane-3,4-diol;heptane-3,5-diol
SMILESCCC(O)CC(O)CC.CCCC(O)C(O)CC
InChIInChI=1S/2C7H16O2/c1-3-6(8)5-7(9)4-2;1-3-5-7(9)6(8)4-2/h2*6-9H,3-5H2,1-2H3
InChIKeyODSARJZARTYGPI-UHFFFAOYSA-N
XLogP1.84
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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hexane-2,3-diol;hexane-2,4-diol
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octane-4,5-diol;hydrate
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decane-3,4,8-triol
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5-methyloctan-3-ol
CID 19931017
hexan-3-ol
CID 12178
(3S,4S)-octane-3,4-diol
CID 132990515
nonane-3,5-diol;scandium
CID 164810293
hexan-3-ol;λ2-plumbane
CID 174675580
cyclohexane-1,2,4-triol;hexane-1,2,3,4-tetrol;hexane-1,2,3-triol;hexane-1,2,4-triol
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Frequently Asked Questions

What is the IUPAC name of heptane-3,4-diol;heptane-3,5-diol?
The IUPAC name of heptane-3,4-diol;heptane-3,5-diol (CID 159964134) is heptane-3,4-diol;heptane-3,5-diol.
What is the SMILES notation for heptane-3,4-diol;heptane-3,5-diol?
The canonical SMILES for heptane-3,4-diol;heptane-3,5-diol is CCC(O)CC(O)CC.CCCC(O)C(O)CC.
What is the InChIKey of heptane-3,4-diol;heptane-3,5-diol?
The InChIKey is ODSARJZARTYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H16O2/c1-3-6(8)5-7(9)4-2;1-3-5-7(9)6(8)4-2/h2*6-9H,3-5H2,1-2H3.
What are the key properties of heptane-3,4-diol;heptane-3,5-diol?
heptane-3,4-diol;heptane-3,5-diol has a molecular weight of 264.41 g/mol, XLogP of 1.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-3,4-diol;heptane-3,5-diol is sourced from PubChem (CID 159964134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).