2-ethylhexan-1-ol;2-ethylhexyl propanoate

C19H40O3 — CID 143702468

IUPAC2-ethylhexan-1-ol;2-ethylhexyl propanoate
SMILESCCCCC(CC)CO.CCCCC(CC)COC(=O)CC
InChIInChI=1S/C11H22O2.C8H18O/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-8(4-2)7-9/h10H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3
InChIKeyKDHRLNXDKUTKPF-UHFFFAOYSA-N
MW316.53 g/mol
LogP5.35
Rot. Bonds12

About 2-ethylhexan-1-ol;2-ethylhexyl propanoate

2-ethylhexan-1-ol;2-ethylhexyl propanoate (PubChem CID 143702468) has the molecular formula C19H40O3 and a molecular weight of 316.53 g/mol. Its IUPAC name is 2-ethylhexan-1-ol;2-ethylhexyl propanoate.

Molecular Properties

Compound Name2-ethylhexan-1-ol;2-ethylhexyl propanoate
PubChem CID143702468
Molecular FormulaC19H40O3
Molecular Weight316.53 g/mol
Exact Mass316.30
IUPAC Name2-ethylhexan-1-ol;2-ethylhexyl propanoate
SMILESCCCCC(CC)CO.CCCCC(CC)COC(=O)CC
InChIInChI=1S/C11H22O2.C8H18O/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-8(4-2)7-9/h10H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3
InChIKeyKDHRLNXDKUTKPF-UHFFFAOYSA-N
XLogP5.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-ethylhexyl propanoate);hydroxylamine
CID 88651509
2-ethyltridecyl propanoate
CID 172787512
bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
[2-(2-ethylhexoxy)-2-oxoethyl]azanium
CID 163684998
bis(2-ethylhexyl) nonanedioate
CID 7642
2-decyltetradecyl propanoate
CID 160958817
2-ethylhexyl 3-hexylundecanoate
CID 23148711
[(2R)-2-ethylhexyl] 3-sulfanylpropanoate
CID 76958586
2-ethylhexyl 4-methylpentanoate
CID 134988368
1-O,3-O-bis[(2R)-2-ethylhexyl] 5-O-[(2S)-2-ethylhexyl] pentane-1,3,5-tricarboxylate
CID 124824126
2-ethylhexyl 2-aminoacetate;sulfuric acid
CID 174848868
2-ethylhexyl 9-ethyloctadecanoate
CID 166859369

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexan-1-ol;2-ethylhexyl propanoate?
The IUPAC name of 2-ethylhexan-1-ol;2-ethylhexyl propanoate (CID 143702468) is 2-ethylhexan-1-ol;2-ethylhexyl propanoate.
What is the SMILES notation for 2-ethylhexan-1-ol;2-ethylhexyl propanoate?
The canonical SMILES for 2-ethylhexan-1-ol;2-ethylhexyl propanoate is CCCCC(CC)CO.CCCCC(CC)COC(=O)CC.
What is the InChIKey of 2-ethylhexan-1-ol;2-ethylhexyl propanoate?
The InChIKey is KDHRLNXDKUTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2.C8H18O/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-3-5-6-8(4-2)7-9/h10H,4-9H2,1-3H3;8-9H,3-7H2,1-2H3.
What are the key properties of 2-ethylhexan-1-ol;2-ethylhexyl propanoate?
2-ethylhexan-1-ol;2-ethylhexyl propanoate has a molecular weight of 316.53 g/mol, XLogP of 5.35, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexan-1-ol;2-ethylhexyl propanoate is sourced from PubChem (CID 143702468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).