5-ethyl-7-methoxy-5-methylheptan-2-ol

C11H24O2 — CID 123828259

IUPAC5-ethyl-7-methoxy-5-methylheptan-2-ol
SMILESCCC(C)(CCOC)CCC(C)O
InChIInChI=1S/C11H24O2/c1-5-11(3,8-9-13-4)7-6-10(2)12/h10,12H,5-9H2,1-4H3
InChIKeyFRGQACYSPVNLIG-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds7

About 5-ethyl-7-methoxy-5-methylheptan-2-ol

5-ethyl-7-methoxy-5-methylheptan-2-ol (PubChem CID 123828259) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 5-ethyl-7-methoxy-5-methylheptan-2-ol.

Molecular Properties

Compound Name5-ethyl-7-methoxy-5-methylheptan-2-ol
PubChem CID123828259
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name5-ethyl-7-methoxy-5-methylheptan-2-ol
SMILESCCC(C)(CCOC)CCC(C)O
InChIInChI=1S/C11H24O2/c1-5-11(3,8-9-13-4)7-6-10(2)12/h10,12H,5-9H2,1-4H3
InChIKeyFRGQACYSPVNLIG-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butyl-2-ethyl-1,3-propanediol
CID 61038
1,6-Octanediol, 3,7-dimethyl-
CID 103732
2,2-Dimethylcyclohexan-1-ol
CID 557637
2,2,12,12-Tetramethyltridecane-1,7,13-triol
CID 10446840
1,3-Propanediol, 2-ethyl-2-pentyl-
CID 212991
4,6,6-Trimethyl-2-heptanol
CID 3016592
2,2-Dimethylcycloheptan-1-ol
CID 14667951
2,2-Dimethyl-1,3-hexanediol
CID 89569
3,3-Dimethyl-4-heptanol
CID 543614
2,2-Dimethyl-3-undecanol
CID 11401401
2,2-Dimethylnonan-3-ol
CID 59016596
[1-(Methoxymethyl)cyclohexyl]methanol
CID 53788279

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methoxy-5-methylheptan-2-ol?
The IUPAC name of 5-ethyl-7-methoxy-5-methylheptan-2-ol (CID 123828259) is 5-ethyl-7-methoxy-5-methylheptan-2-ol.
What is the SMILES notation for 5-ethyl-7-methoxy-5-methylheptan-2-ol?
The canonical SMILES for 5-ethyl-7-methoxy-5-methylheptan-2-ol is CCC(C)(CCOC)CCC(C)O.
What is the InChIKey of 5-ethyl-7-methoxy-5-methylheptan-2-ol?
The InChIKey is FRGQACYSPVNLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-5-11(3,8-9-13-4)7-6-10(2)12/h10,12H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-7-methoxy-5-methylheptan-2-ol?
5-ethyl-7-methoxy-5-methylheptan-2-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methoxy-5-methylheptan-2-ol is sourced from PubChem (CID 123828259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).