1-(3-ethoxycyclobutyl)non-8-en-2-one

C15H26O2 — CID 107011207

IUPAC1-(3-ethoxycyclobutyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1CC(OCC)C1
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-14(16)10-13-11-15(12-13)17-4-2/h3,13,15H,1,4-12H2,2H3
InChIKeyGGNGTIMKPAIINO-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.90
Rot. Bonds10

About 1-(3-ethoxycyclobutyl)non-8-en-2-one

1-(3-ethoxycyclobutyl)non-8-en-2-one (PubChem CID 107011207) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)non-8-en-2-one.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)non-8-en-2-one
PubChem CID107011207
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-(3-ethoxycyclobutyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1CC(OCC)C1
InChIInChI=1S/C15H26O2/c1-3-5-6-7-8-9-14(16)10-13-11-15(12-13)17-4-2/h3,13,15H,1,4-12H2,2H3
InChIKeyGGNGTIMKPAIINO-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
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

(2S,3R,6R)-2-hex-5-enyl-3,6-dimethyloxan-4-one
CID 9794332
1-[(2S,3R,6S)-2-(2-methylpropyl)-6-prop-2-enyloxan-3-yl]ethanone
CID 101377745
1-(4-Methoxy-cyclohexyl)-hex-5-en-1-one
CID 129864092
1-[(2S,3R,6S)-2-hexyl-6-prop-2-enyloxan-3-yl]ethanone
CID 135067487
(4R,10R)-10-hydroxy-4-methylundec-1-en-6-one
CID 102243091
Propan-2-yl 2-ethyloct-7-enoate
CID 17825103
Ethyl 8-acetyltridec-12-enoate
CID 22759290
6-Pentyl-3-prop-2-enyloxan-2-one
CID 23093365
2-Methyl-5-(2-propan-2-yloxyethyl)oct-7-en-3-one
CID 89105354
2,2-Dimethyl-7-[(2-methylpropan-2-yl)oxy]dec-9-en-3-one
CID 89185562
6-(3-Propan-2-yloxybut-3-enyl)cyclooct-4-en-1-one
CID 123523613
Ethyl 4-(cyclobutylmethyl)-3-oxohept-6-enoate
CID 129283523

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)non-8-en-2-one?
The IUPAC name of 1-(3-ethoxycyclobutyl)non-8-en-2-one (CID 107011207) is 1-(3-ethoxycyclobutyl)non-8-en-2-one.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)non-8-en-2-one?
The canonical SMILES for 1-(3-ethoxycyclobutyl)non-8-en-2-one is C=CCCCCCC(=O)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)non-8-en-2-one?
The InChIKey is GGNGTIMKPAIINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-5-6-7-8-9-14(16)10-13-11-15(12-13)17-4-2/h3,13,15H,1,4-12H2,2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)non-8-en-2-one?
1-(3-ethoxycyclobutyl)non-8-en-2-one has a molecular weight of 238.37 g/mol, XLogP of 3.90, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)non-8-en-2-one is sourced from PubChem (CID 107011207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).