2,4-dimethyloctane-3,5-diol

C10H22O2 — CID 164810304

IUPAC2,4-dimethyloctane-3,5-diol
SMILESCCCC(O)C(C)C(O)C(C)C
InChIInChI=1S/C10H22O2/c1-5-6-9(11)8(4)10(12)7(2)3/h7-12H,5-6H2,1-4H3
InChIKeySQHDZTOHNHEZMW-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.80
Rot. Bonds5

About 2,4-dimethyloctane-3,5-diol

2,4-dimethyloctane-3,5-diol (PubChem CID 164810304) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,4-dimethyloctane-3,5-diol.

Molecular Properties

Compound Name2,4-dimethyloctane-3,5-diol
PubChem CID164810304
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,4-dimethyloctane-3,5-diol
SMILESCCCC(O)C(C)C(O)C(C)C
InChIInChI=1S/C10H22O2/c1-5-6-9(11)8(4)10(12)7(2)3/h7-12H,5-6H2,1-4H3
InChIKeySQHDZTOHNHEZMW-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyloctane-3,5-diol;scandium
CID 164810303
(3S,4S,5R,6S,7S)-2,4,6-trimethylnonane-3,5,7-triol
CID 101070481
decane-4,5,6,7-tetrol
CID 73238857
hexane-2,3-diol
CID 159913798
5-propan-2-yloctan-4-ol
CID 23385171
(4S,5R)-5-propan-2-yloctan-4-ol
CID 59911289
octane-4,5-diol;hydrate
CID 141056272
2,2-dimethyloctane-3,5-diol;tetrakis(scandium);2,2,4,6-tetramethylheptane-3,5-diol;2,2,6-trimethylheptane-3,5-diol;2,2,4-trimethyloctane-3,5-diol
CID 164988733
3-ethyl-2-methylheptan-4-ol
CID 23384905
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
(2S,3S)-2-aminohexan-3-ol
CID 55285025
octane-1,3,4,5-tetrol
CID 18506400

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyloctane-3,5-diol?
The IUPAC name of 2,4-dimethyloctane-3,5-diol (CID 164810304) is 2,4-dimethyloctane-3,5-diol.
What is the SMILES notation for 2,4-dimethyloctane-3,5-diol?
The canonical SMILES for 2,4-dimethyloctane-3,5-diol is CCCC(O)C(C)C(O)C(C)C.
What is the InChIKey of 2,4-dimethyloctane-3,5-diol?
The InChIKey is SQHDZTOHNHEZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-5-6-9(11)8(4)10(12)7(2)3/h7-12H,5-6H2,1-4H3.
What are the key properties of 2,4-dimethyloctane-3,5-diol?
2,4-dimethyloctane-3,5-diol has a molecular weight of 174.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyloctane-3,5-diol is sourced from PubChem (CID 164810304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).