10-methylundec-3-en-2-one

C12H22O — CID 154192046

IUPAC10-methylundec-3-en-2-one
SMILESCC(=O)C=CCCCCCC(C)C
InChIInChI=1S/C12H22O/c1-11(2)9-7-5-4-6-8-10-12(3)13/h8,10-11H,4-7,9H2,1-3H3
InChIKeyQLJJGOSRCANTQJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.74
Rot. Bonds7

About 10-methylundec-3-en-2-one

10-methylundec-3-en-2-one (PubChem CID 154192046) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 10-methylundec-3-en-2-one.

Molecular Properties

Compound Name10-methylundec-3-en-2-one
PubChem CID154192046
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name10-methylundec-3-en-2-one
SMILESCC(=O)C=CCCCCCC(C)C
InChIInChI=1S/C12H22O/c1-11(2)9-7-5-4-6-8-10-12(3)13/h8,10-11H,4-7,9H2,1-3H3
InChIKeyQLJJGOSRCANTQJ-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E,11E)-tetradeca-3,11-diene-2,13-dione
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9-methyldec-2-enethioic S-acid
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(Z)-2,15-dimethylhexadec-8-ene
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(E)-2,15-dimethylhexadec-8-ene
CID 176630932
19-methylicosa-2,4-dienoic acid
CID 170315585
20-methylhenicosa-2,4-dienoic acid
CID 118268246
ethyl 13-methyltetradec-2-enoate
CID 71332881
13-methyltetradec-1-enyl acetate
CID 90427101
(Z)-2,16-dimethylheptadec-6-ene
CID 176630987
(Z)-2,11-dimethyldodec-6-ene;(E)-2,11-dimethyldodec-6-ene;(Z)-2,14-dimethylpentadec-6-ene;(E)-2,14-dimethylpentadec-6-ene
CID 161032897
(E)-2,16-dimethylheptadec-6-ene
CID 176630989
(E)-2,13-dimethyltetradec-7-ene
CID 176630990

Frequently Asked Questions

What is the IUPAC name of 10-methylundec-3-en-2-one?
The IUPAC name of 10-methylundec-3-en-2-one (CID 154192046) is 10-methylundec-3-en-2-one.
What is the SMILES notation for 10-methylundec-3-en-2-one?
The canonical SMILES for 10-methylundec-3-en-2-one is CC(=O)C=CCCCCCC(C)C.
What is the InChIKey of 10-methylundec-3-en-2-one?
The InChIKey is QLJJGOSRCANTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2)9-7-5-4-6-8-10-12(3)13/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 10-methylundec-3-en-2-one?
10-methylundec-3-en-2-one has a molecular weight of 182.31 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylundec-3-en-2-one is sourced from PubChem (CID 154192046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).