1-ethoxy-5-ethylheptan-3-ol

C11H24O2 — CID 105122574

IUPAC1-ethoxy-5-ethylheptan-3-ol
SMILESCCOCCC(O)CC(CC)CC
InChIInChI=1S/C11H24O2/c1-4-10(5-2)9-11(12)7-8-13-6-3/h10-12H,4-9H2,1-3H3
InChIKeyOXXFXDYYNAAQKD-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.60
Rot. Bonds8

About 1-ethoxy-5-ethylheptan-3-ol

1-ethoxy-5-ethylheptan-3-ol (PubChem CID 105122574) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-ethoxy-5-ethylheptan-3-ol.

Molecular Properties

Compound Name1-ethoxy-5-ethylheptan-3-ol
PubChem CID105122574
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name1-ethoxy-5-ethylheptan-3-ol
SMILESCCOCCC(O)CC(CC)CC
InChIInChI=1S/C11H24O2/c1-4-10(5-2)9-11(12)7-8-13-6-3/h10-12H,4-9H2,1-3H3
InChIKeyOXXFXDYYNAAQKD-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

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CID 7211
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CID 9859093
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CID 7634
3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
2-Oxiranepentanol, gamma,3,3-trimethyl-
CID 98467
1-Octanol, 7-methoxy-3,7-dimethyl-
CID 170041
Tetrahydro-4-methyl-2-(2-methylpropyl)-2H-pyran-4-ol
CID 3017432
6,10-Dimethyl-2-undecanol
CID 3016008
3-Methyl-2,4-heptanediol
CID 248872
1,6-Octanediol, 3,7-dimethyl-
CID 103732
6,8-Dimethylnonan-2-ol
CID 172501
2-Heptanol, 3,6-dimethyl-
CID 19871663

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-ethylheptan-3-ol?
The IUPAC name of 1-ethoxy-5-ethylheptan-3-ol (CID 105122574) is 1-ethoxy-5-ethylheptan-3-ol.
What is the SMILES notation for 1-ethoxy-5-ethylheptan-3-ol?
The canonical SMILES for 1-ethoxy-5-ethylheptan-3-ol is CCOCCC(O)CC(CC)CC.
What is the InChIKey of 1-ethoxy-5-ethylheptan-3-ol?
The InChIKey is OXXFXDYYNAAQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O2/c1-4-10(5-2)9-11(12)7-8-13-6-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-ethoxy-5-ethylheptan-3-ol?
1-ethoxy-5-ethylheptan-3-ol has a molecular weight of 188.31 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-ethylheptan-3-ol is sourced from PubChem (CID 105122574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).