1-(1-methoxycyclobutyl)non-8-en-2-one

C14H24O2 — CID 107011099

IUPAC1-(1-methoxycyclobutyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1(OC)CCC1
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-9-13(15)12-14(16-2)10-8-11-14/h3H,1,4-12H2,2H3
InChIKeyHCSYLXHTINZVBE-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.65
Rot. Bonds9

About 1-(1-methoxycyclobutyl)non-8-en-2-one

1-(1-methoxycyclobutyl)non-8-en-2-one (PubChem CID 107011099) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)non-8-en-2-one.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)non-8-en-2-one
PubChem CID107011099
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(1-methoxycyclobutyl)non-8-en-2-one
SMILESC=CCCCCCC(=O)CC1(OC)CCC1
InChIInChI=1S/C14H24O2/c1-3-4-5-6-7-9-13(15)12-14(16-2)10-8-11-14/h3H,1,4-12H2,2H3
InChIKeyHCSYLXHTINZVBE-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.65
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

Methyl 2-but-3-enyl-3-oxooctanoate
CID 101432313
(2-Methyl-4-oxotetradec-13-en-2-yl) formate
CID 56993251
Ethyl 4-(cyclobutylmethyl)-3-oxohept-6-enoate
CID 129283523
Methyl 3-oxo-2-prop-2-enylheptanoate
CID 178069836
(5R)-5-[(1S)-1-methoxyethyl]undec-1-en-4-one
CID 10537256
Methyl 6-ethyl-3-oxonon-8-enoate
CID 10703768
(5R)-5-[(1R)-1-methoxyethyl]undec-1-en-4-one
CID 10775643
Methyl 2-(but-3-EN-1-YL)-3-oxooct-7-enoate
CID 13985409
Methyl 3-oxo-2-prop-2-enyloct-7-enoate
CID 14571398
Methyl 2-acetyloct-7-enoate
CID 14958512
Methyl 3-oxo-2-prop-2-enyldecanoate
CID 21859432
3-Ethoxy-2,2-bis(pent-4-enyl)cyclobutan-1-one
CID 46179924

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)non-8-en-2-one?
The IUPAC name of 1-(1-methoxycyclobutyl)non-8-en-2-one (CID 107011099) is 1-(1-methoxycyclobutyl)non-8-en-2-one.
What is the SMILES notation for 1-(1-methoxycyclobutyl)non-8-en-2-one?
The canonical SMILES for 1-(1-methoxycyclobutyl)non-8-en-2-one is C=CCCCCCC(=O)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)non-8-en-2-one?
The InChIKey is HCSYLXHTINZVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-4-5-6-7-9-13(15)12-14(16-2)10-8-11-14/h3H,1,4-12H2,2H3.
What are the key properties of 1-(1-methoxycyclobutyl)non-8-en-2-one?
1-(1-methoxycyclobutyl)non-8-en-2-one has a molecular weight of 224.34 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)non-8-en-2-one is sourced from PubChem (CID 107011099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).