10-methyl-9-methylidenedodecan-3-one

C14H26O — CID 123893300

IUPAC10-methyl-9-methylidenedodecan-3-one
SMILESC=C(CCCCCC(=O)CC)C(C)CC
InChIInChI=1S/C14H26O/c1-5-12(3)13(4)10-8-7-9-11-14(15)6-2/h12H,4-11H2,1-3H3
InChIKeyALXXGLXDRPXQSS-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.52
Rot. Bonds9

About 10-methyl-9-methylidenedodecan-3-one

10-methyl-9-methylidenedodecan-3-one (PubChem CID 123893300) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 10-methyl-9-methylidenedodecan-3-one.

Molecular Properties

Compound Name10-methyl-9-methylidenedodecan-3-one
PubChem CID123893300
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name10-methyl-9-methylidenedodecan-3-one
SMILESC=C(CCCCCC(=O)CC)C(C)CC
InChIInChI=1S/C14H26O/c1-5-12(3)13(4)10-8-7-9-11-14(15)6-2/h12H,4-11H2,1-3H3
InChIKeyALXXGLXDRPXQSS-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

22-hydroxytricos-22-en-3-one
CID 170097377
methane;undecane-3,9-dione
CID 158816586
6-methyl-5-methylideneoctanal
CID 172617044
3,8-dimethyl-4-methylidenedecane
CID 177054037
1-hydroxydodecane-2,10-dione
CID 158814981
9-sulfanylundecan-3-one
CID 91415833
decan-3-one;hydrochloride
CID 22446547
tetracosane-3,13-dione
CID 143607999
9-oxoundecanoic acid
CID 5282986
pentadecane-2,13-dione
CID 58143587
2,19-dimethylhenicosane-3,18-dione
CID 138498522
heptadecane-3,7,11,15-tetrone
CID 160942813

Frequently Asked Questions

What is the IUPAC name of 10-methyl-9-methylidenedodecan-3-one?
The IUPAC name of 10-methyl-9-methylidenedodecan-3-one (CID 123893300) is 10-methyl-9-methylidenedodecan-3-one.
What is the SMILES notation for 10-methyl-9-methylidenedodecan-3-one?
The canonical SMILES for 10-methyl-9-methylidenedodecan-3-one is C=C(CCCCCC(=O)CC)C(C)CC.
What is the InChIKey of 10-methyl-9-methylidenedodecan-3-one?
The InChIKey is ALXXGLXDRPXQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-5-12(3)13(4)10-8-7-9-11-14(15)6-2/h12H,4-11H2,1-3H3.
What are the key properties of 10-methyl-9-methylidenedodecan-3-one?
10-methyl-9-methylidenedodecan-3-one has a molecular weight of 210.36 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9-methylidenedodecan-3-one is sourced from PubChem (CID 123893300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).