methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate

C18H30O2 — CID 134916635

IUPACmethyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate
SMILESC=C(C)C(C)(CC/C=C(\C)CCC=C(C)C)C(=O)OC
InChIInChI=1S/C18H30O2/c1-14(2)10-8-11-16(5)12-9-13-18(6,15(3)4)17(19)20-7/h10,12H,3,8-9,11,13H2,1-2,4-7H3/b16-12+
InChIKeySVSBKTDXMNYTHD-FOWTUZBSSA-N
MW278.44 g/mol
LogP5.21
Rot. Bonds8

About methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate

methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate (PubChem CID 134916635) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate.

Molecular Properties

Compound Namemethyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate
PubChem CID134916635
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Namemethyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate
SMILESC=C(C)C(C)(CC/C=C(\C)CCC=C(C)C)C(=O)OC
InChIInChI=1S/C18H30O2/c1-14(2)10-8-11-16(5)12-9-13-18(6,15(3)4)17(19)20-7/h10,12H,3,8-9,11,13H2,1-2,4-7H3/b16-12+
InChIKeySVSBKTDXMNYTHD-FOWTUZBSSA-N
XLogP5.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate with MolForge

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Launch Full Analysis

Related Compounds

Methyl rhodinolate
CID 61290
Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
CID 114416
Methyl chrysanthemate
CID 91127
Methyl 1-methylcyclohex-3-ene-1-carboxylate
CID 110867
3-Cyclohexene-1-carboxylic acid, 1,4-dimethyl-, methyl ester
CID 100881
2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 119800
3-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester
CID 12082921
Methyl (+)-cis-chrysanthemate
CID 11206160
Methyl (3R)-3,7-dimethyloct-6-enoate
CID 10976170
Methyl (3S)-3,7-dimethyloct-6-enoate
CID 11745305
Methyl trans-2,6,6-trimethyl-3-cyclohexene-1-carboxylate
CID 12082923
Methyl trans-chrysanthemate
CID 10965156

Frequently Asked Questions

What is the IUPAC name of methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate?
The IUPAC name of methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate (CID 134916635) is methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate.
What is the SMILES notation for methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate?
The canonical SMILES for methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate is C=C(C)C(C)(CC/C=C(\C)CCC=C(C)C)C(=O)OC.
What is the InChIKey of methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate?
The InChIKey is SVSBKTDXMNYTHD-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(2)10-8-11-16(5)12-9-13-18(6,15(3)4)17(19)20-7/h10,12H,3,8-9,11,13H2,1-2,4-7H3/b16-12+.
What are the key properties of methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate?
methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate has a molecular weight of 278.44 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5E)-2,6,10-trimethyl-2-prop-1-en-2-ylundeca-5,9-dienoate is sourced from PubChem (CID 134916635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).