(1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one

C19H26O2 — CID 171107415

IUPAC(1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one
SMILESC=C1C(=O)CC2=C(C)CCC2(C)/C=C2/C(COC)CCC12
InChIInChI=1S/C19H26O2/c1-12-7-8-19(3)10-16-14(11-21-4)5-6-15(16)13(2)18(20)9-17(12)19/h10,14-15H,2,5-9,11H2,1,3-4H3/b16-10-
InChIKeyVEQCATZYHDNRMZ-YBEGLDIGSA-N
MW286.41 g/mol
LogP4.23
Rot. Bonds2

About (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one

(1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one (PubChem CID 171107415) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one.

Molecular Properties

Compound Name(1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one
PubChem CID171107415
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one
SMILESC=C1C(=O)CC2=C(C)CCC2(C)/C=C2/C(COC)CCC12
InChIInChI=1S/C19H26O2/c1-12-7-8-19(3)10-16-14(11-21-4)5-6-15(16)13(2)18(20)9-17(12)19/h10,14-15H,2,5-9,11H2,1,3-4H3/b16-10-
InChIKeyVEQCATZYHDNRMZ-YBEGLDIGSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-1-(ethoxymethyl)-4-propan-2-ylspiro[4.5]deca-3,9-dien-8-one
CID 127041223
methyl (4E)-4-ethylidene-6-methyl-5-oxo-1,2,3,3a-tetrahydropentalene-2-carboxylate
CID 135037053
methyl (4Z)-4-ethylidene-6-methyl-5-oxo-1,2,3,3a-tetrahydropentalene-2-carboxylate
CID 135037083
(1R,3R,8R,11S,12R)-9-methoxy-8,11-dimethyl-12-propan-2-yltetracyclo[6.6.0.01,11.03,7]tetradeca-6,9-dien-5-one
CID 138980040
1-(4-Methoxy-7,7-dimethyl-3-prop-1-en-2-ylcyclohepten-1-yl)ethanone
CID 21606038
(1Z,3S,7R,11S)-7-methyl-5-oxatricyclo[9.3.0.03,7]tetradec-1-en-9-one
CID 101519724
3-Ethyl-1-[1-(methoxymethyl)-2,5-dimethylcyclopenta-2,4-dien-1-yl]heptan-1-one
CID 67497368
2-[2-[4-(Methoxymethyl)-3-(2-oxohex-3-enylidene)cyclohexyl]ethyl]-2-methylcyclopentan-1-one
CID 123847886
4-(Methoxymethyl)-3-[6-(2-methoxy-1-methylcyclopentyl)hexyl]cyclohex-2-en-1-one
CID 124004684
4-(methoxymethyl)-5-methyl-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
CID 135274360
2,5-Dimethyloct-2-ene;ethane;6-(4-methoxybutyl)-4,8-dimethylbicyclo[4.2.1]nona-4,7-dien-3-one
CID 169186223
(1E)-9-hydroxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-dien-5-one
CID 170982212

Frequently Asked Questions

What is the IUPAC name of (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one?
The IUPAC name of (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one (CID 171107415) is (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one.
What is the SMILES notation for (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one?
The canonical SMILES for (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one is C=C1C(=O)CC2=C(C)CCC2(C)/C=C2/C(COC)CCC12.
What is the InChIKey of (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one?
The InChIKey is VEQCATZYHDNRMZ-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H26O2/c1-12-7-8-19(3)10-16-14(11-21-4)5-6-15(16)13(2)18(20)9-17(12)19/h10,14-15H,2,5-9,11H2,1,3-4H3/b16-10-.
What are the key properties of (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one?
(1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one has a molecular weight of 286.41 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-14-(methoxymethyl)-3,6-dimethyl-10-methylidenetricyclo[9.3.0.03,7]tetradeca-1,6-dien-9-one is sourced from PubChem (CID 171107415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).