4-methylheptane-2,3,4-triol

C8H18O3 — CID 158291327

IUPAC4-methylheptane-2,3,4-triol
SMILESCCCC(C)(O)C(O)C(C)O
InChIInChI=1S/C8H18O3/c1-4-5-8(3,11)7(10)6(2)9/h6-7,9-11H,4-5H2,1-3H3
InChIKeyGLJRHXGSJMYHRT-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.28
Rot. Bonds4

About 4-methylheptane-2,3,4-triol

4-methylheptane-2,3,4-triol (PubChem CID 158291327) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 4-methylheptane-2,3,4-triol.

Molecular Properties

Compound Name4-methylheptane-2,3,4-triol
PubChem CID158291327
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name4-methylheptane-2,3,4-triol
SMILESCCCC(C)(O)C(O)C(C)O
InChIInChI=1S/C8H18O3/c1-4-5-8(3,11)7(10)6(2)9/h6-7,9-11H,4-5H2,1-3H3
InChIKeyGLJRHXGSJMYHRT-UHFFFAOYSA-N
XLogP0.28
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethylheptane-2,3,4-triol
CID 141035400
3-methyl-3-propylhexan-2-ol
CID 20501676
3,4-dipropylheptane-2,4-diol
CID 135285239
3-hydroxy-2,3-dimethylhexanoic acid
CID 14452464
3,5-dimethyl-3-propylhexan-2-ol
CID 20501854
2,4-dimethyl-2-propylpentane-1,3-diol
CID 19375233
4,7-dimethyldec-5-yne-4,7-diol;2,4,7,9-tetramethyldec-5-yne-4,7-diol
CID 160526423
(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
CID 59910933
3-aminohexane-2,3-diol
CID 87595978
2-methylbutan-2-ol;3-methylbutan-2-ol
CID 87324664
2-ethyl-4-hydroxy-2,3,4-trimethylheptanenitrile
CID 134854737
(E)-5-hydroxy-4,5-dimethyloct-2-enal
CID 87291913

Frequently Asked Questions

What is the IUPAC name of 4-methylheptane-2,3,4-triol?
The IUPAC name of 4-methylheptane-2,3,4-triol (CID 158291327) is 4-methylheptane-2,3,4-triol.
What is the SMILES notation for 4-methylheptane-2,3,4-triol?
The canonical SMILES for 4-methylheptane-2,3,4-triol is CCCC(C)(O)C(O)C(C)O.
What is the InChIKey of 4-methylheptane-2,3,4-triol?
The InChIKey is GLJRHXGSJMYHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-4-5-8(3,11)7(10)6(2)9/h6-7,9-11H,4-5H2,1-3H3.
What are the key properties of 4-methylheptane-2,3,4-triol?
4-methylheptane-2,3,4-triol has a molecular weight of 162.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylheptane-2,3,4-triol is sourced from PubChem (CID 158291327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).