5-ethyl-2-methylheptane-1,5-diol

C10H22O2 — CID 174921855

IUPAC5-ethyl-2-methylheptane-1,5-diol
SMILESCCC(O)(CC)CCC(C)CO
InChIInChI=1S/C10H22O2/c1-4-10(12,5-2)7-6-9(3)8-11/h9,11-12H,4-8H2,1-3H3
InChIKeyXQSCRJWPQMCSMM-UHFFFAOYSA-N
MW174.28 g/mol
LogP1.95
Rot. Bonds6

About 5-ethyl-2-methylheptane-1,5-diol

5-ethyl-2-methylheptane-1,5-diol (PubChem CID 174921855) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 5-ethyl-2-methylheptane-1,5-diol.

Molecular Properties

Compound Name5-ethyl-2-methylheptane-1,5-diol
PubChem CID174921855
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name5-ethyl-2-methylheptane-1,5-diol
SMILESCCC(O)(CC)CCC(C)CO
InChIInChI=1S/C10H22O2/c1-4-10(12,5-2)7-6-9(3)8-11/h9,11-12H,4-8H2,1-3H3
InChIKeyXQSCRJWPQMCSMM-UHFFFAOYSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-trimethylhexan-1-ol
CID 3020914
6,6,6-trifluoro-2,5-dimethylhexane-1,5-diol
CID 145057950
2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,7-dimethyloctane-1,8-diol
CID 11008425
azane;2-methylpentan-1-ol;dihydrochloride
CID 174415462
2-methylhexan-1-ol
CID 159157237
3-(methoxymethyl)-6-methylheptan-3-ol
CID 65149499
(2R)-4-iodo-2-methylbutan-1-ol
CID 139766898
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
magnesium;hydride;2-methylpentan-1-ol;hydrochloride
CID 174286347
2,5-diethyloctane-1,2-diol
CID 87744729

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylheptane-1,5-diol?
The IUPAC name of 5-ethyl-2-methylheptane-1,5-diol (CID 174921855) is 5-ethyl-2-methylheptane-1,5-diol.
What is the SMILES notation for 5-ethyl-2-methylheptane-1,5-diol?
The canonical SMILES for 5-ethyl-2-methylheptane-1,5-diol is CCC(O)(CC)CCC(C)CO.
What is the InChIKey of 5-ethyl-2-methylheptane-1,5-diol?
The InChIKey is XQSCRJWPQMCSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-10(12,5-2)7-6-9(3)8-11/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 5-ethyl-2-methylheptane-1,5-diol?
5-ethyl-2-methylheptane-1,5-diol has a molecular weight of 174.28 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylheptane-1,5-diol is sourced from PubChem (CID 174921855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).