1-ethoxy-6-methylheptan-3-ol

C10H22O2 — CID 115601589

IUPAC1-ethoxy-6-methylheptan-3-ol
SMILESCCOCCC(O)CCC(C)C
InChIInChI=1S/C10H22O2/c1-4-12-8-7-10(11)6-5-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyZGZFHVTUFZNQOE-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds7

About 1-ethoxy-6-methylheptan-3-ol

1-ethoxy-6-methylheptan-3-ol (PubChem CID 115601589) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-ethoxy-6-methylheptan-3-ol.

Molecular Properties

Compound Name1-ethoxy-6-methylheptan-3-ol
PubChem CID115601589
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-ethoxy-6-methylheptan-3-ol
SMILESCCOCCC(O)CCC(C)C
InChIInChI=1S/C10H22O2/c1-4-12-8-7-10(11)6-5-9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyZGZFHVTUFZNQOE-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1-(3-methylbutoxy)heptan-3-ol
CID 115001714
5-ethoxypentane-1,3-diol
CID 87719157
1-ethoxy-5-methyloctan-3-ol
CID 105089791
1-ethoxy-5-ethylheptan-3-ol
CID 105122574
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
1-(ethoxymethoxy)pentan-3-ol
CID 139715478
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
1-ethoxy-17-methyloctadecane
CID 91042875
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
2-methylundecan-5-ol
CID 544080
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
14-ethoxytetradecane-1,3-diol
CID 57222760

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-6-methylheptan-3-ol?
The IUPAC name of 1-ethoxy-6-methylheptan-3-ol (CID 115601589) is 1-ethoxy-6-methylheptan-3-ol.
What is the SMILES notation for 1-ethoxy-6-methylheptan-3-ol?
The canonical SMILES for 1-ethoxy-6-methylheptan-3-ol is CCOCCC(O)CCC(C)C.
What is the InChIKey of 1-ethoxy-6-methylheptan-3-ol?
The InChIKey is ZGZFHVTUFZNQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-4-12-8-7-10(11)6-5-9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-6-methylheptan-3-ol?
1-ethoxy-6-methylheptan-3-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-6-methylheptan-3-ol is sourced from PubChem (CID 115601589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).