3-(2-hydroxyethyl)oct-7-en-2-one

C10H18O2 — CID 103343971

IUPAC3-(2-hydroxyethyl)oct-7-en-2-one
SMILESC=CCCCC(CCO)C(C)=O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10(7-8-11)9(2)12/h3,10-11H,1,4-8H2,2H3
InChIKeyXRCZPNILHHGBHL-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.93
Rot. Bonds7

About 3-(2-hydroxyethyl)oct-7-en-2-one

3-(2-hydroxyethyl)oct-7-en-2-one (PubChem CID 103343971) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)oct-7-en-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)oct-7-en-2-one
PubChem CID103343971
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-(2-hydroxyethyl)oct-7-en-2-one
SMILESC=CCCCC(CCO)C(C)=O
InChIInChI=1S/C10H18O2/c1-3-4-5-6-10(7-8-11)9(2)12/h3,10-11H,1,4-8H2,2H3
InChIKeyXRCZPNILHHGBHL-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-(2-hydroxyethyl)hexan-2-one
CID 103343847
2-acetylhept-6-enoic acid
CID 14867645
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
(3R,4R)-non-8-ene-1,3,4-triol
CID 10866828
1-acetyloxyhex-5-enyl acetate
CID 15000176
2-propylhept-6-enoyl 2-propylhept-6-enoate
CID 139914283
(2R)-2-aminohept-6-enoic acid
CID 71352792
2-(2-aminoethyl)hept-6-enoic acid
CID 104681057
5-ethenyl-4-(2-hydroxyethoxy)-4-methyldec-9-en-2-one
CID 11118622
3-(2-hydroxyethyl)hept-6-yn-2-one
CID 103343922
3-(3-methoxypropyl)hex-5-en-2-one
CID 59857922
hex-5-enyl 2-methyl-3-oxobutanoate
CID 102590101

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)oct-7-en-2-one?
The IUPAC name of 3-(2-hydroxyethyl)oct-7-en-2-one (CID 103343971) is 3-(2-hydroxyethyl)oct-7-en-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)oct-7-en-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)oct-7-en-2-one is C=CCCCC(CCO)C(C)=O.
What is the InChIKey of 3-(2-hydroxyethyl)oct-7-en-2-one?
The InChIKey is XRCZPNILHHGBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-4-5-6-10(7-8-11)9(2)12/h3,10-11H,1,4-8H2,2H3.
What are the key properties of 3-(2-hydroxyethyl)oct-7-en-2-one?
3-(2-hydroxyethyl)oct-7-en-2-one has a molecular weight of 170.25 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)oct-7-en-2-one is sourced from PubChem (CID 103343971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).