methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate

C16H26O2 — CID 123368816

IUPACmethyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate
SMILESC=C(CCC=C(C)C)CCC=C(C)CC(=O)OC
InChIInChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,11H,3,6-7,9-10,12H2,1-2,4-5H3
InChIKeyJHURPBGVIZWTOW-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.58
Rot. Bonds8

About methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate

methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate (PubChem CID 123368816) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate.

Molecular Properties

Compound Namemethyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate
PubChem CID123368816
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namemethyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate
SMILESC=C(CCC=C(C)C)CCC=C(C)CC(=O)OC
InChIInChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,11H,3,6-7,9-10,12H2,1-2,4-5H3
InChIKeyJHURPBGVIZWTOW-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate?
The IUPAC name of methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate (CID 123368816) is methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate.
What is the SMILES notation for methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate?
The canonical SMILES for methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate is C=C(CCC=C(C)C)CCC=C(C)CC(=O)OC.
What is the InChIKey of methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate?
The InChIKey is JHURPBGVIZWTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-13(2)8-6-9-14(3)10-7-11-15(4)12-16(17)18-5/h8,11H,3,6-7,9-10,12H2,1-2,4-5H3.
What are the key properties of methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate?
methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate has a molecular weight of 250.38 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,11-dimethyl-7-methylidenedodeca-3,10-dienoate is sourced from PubChem (CID 123368816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).