2,4-dimethylheptane-1,7-diol

C9H20O2 — CID 175358767

IUPAC2,4-dimethylheptane-1,7-diol
SMILESCC(CO)CC(C)CCCO
InChIInChI=1S/C9H20O2/c1-8(4-3-5-10)6-9(2)7-11/h8-11H,3-7H2,1-2H3
InChIKeyHWVIXUSLEVITPQ-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.41
Rot. Bonds6

About 2,4-dimethylheptane-1,7-diol

2,4-dimethylheptane-1,7-diol (PubChem CID 175358767) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2,4-dimethylheptane-1,7-diol.

Molecular Properties

Compound Name2,4-dimethylheptane-1,7-diol
PubChem CID175358767
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name2,4-dimethylheptane-1,7-diol
SMILESCC(CO)CC(C)CCCO
InChIInChI=1S/C9H20O2/c1-8(4-3-5-10)6-9(2)7-11/h8-11H,3-7H2,1-2H3
InChIKeyHWVIXUSLEVITPQ-UHFFFAOYSA-N
XLogP1.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
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CID 11008425
(7R,9S)-7,9-dimethylhexadecan-1-ol
CID 11196523
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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylheptane-1,7-diol?
The IUPAC name of 2,4-dimethylheptane-1,7-diol (CID 175358767) is 2,4-dimethylheptane-1,7-diol.
What is the SMILES notation for 2,4-dimethylheptane-1,7-diol?
The canonical SMILES for 2,4-dimethylheptane-1,7-diol is CC(CO)CC(C)CCCO.
What is the InChIKey of 2,4-dimethylheptane-1,7-diol?
The InChIKey is HWVIXUSLEVITPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(4-3-5-10)6-9(2)7-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 2,4-dimethylheptane-1,7-diol?
2,4-dimethylheptane-1,7-diol has a molecular weight of 160.26 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylheptane-1,7-diol is sourced from PubChem (CID 175358767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).