prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate

C17H28O2 — CID 54552604

IUPACprop-2-enyl 7,11-dimethyldodeca-2,4-dienoate
SMILESC=CCOC(=O)C=CC=CCC(C)CCCC(C)C
InChIInChI=1S/C17H28O2/c1-5-14-19-17(18)13-8-6-7-11-16(4)12-9-10-15(2)3/h5-8,13,15-16H,1,9-12,14H2,2-4H3
InChIKeyZKYPNSVPPQLSPP-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.68
Rot. Bonds10

About prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate

prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate (PubChem CID 54552604) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate.

Molecular Properties

Compound Nameprop-2-enyl 7,11-dimethyldodeca-2,4-dienoate
PubChem CID54552604
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Nameprop-2-enyl 7,11-dimethyldodeca-2,4-dienoate
SMILESC=CCOC(=O)C=CC=CCC(C)CCCC(C)C
InChIInChI=1S/C17H28O2/c1-5-14-19-17(18)13-8-6-7-11-16(4)12-9-10-15(2)3/h5-8,13,15-16H,1,9-12,14H2,2-4H3
InChIKeyZKYPNSVPPQLSPP-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.68
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

7,11-dimethyldodeca-2,4-dienamide
CID 54142577
prop-2-enyl (E)-5-methylhex-2-enoate
CID 87327194
2,6,10,15,19,23-hexamethyltetracos-12-ene
CID 154734430
(2E,4E)-7-methylundeca-2,4-dienoic acid
CID 19761491
prop-2-ynyl (2E,4E)-7,11-dimethyldodeca-2,4,10-trienoate
CID 88841097
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
(1,2,3-13C3)prop-2-ynyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate
CID 169439765
[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] prop-2-enoate
CID 139683375
propan-2-yl (7S)-2-methoxy-3,7,11-trimethyldodeca-2,4-dienoate
CID 123654534
[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate
CID 54562793
(E,2R,6R)-N,N,2,6,10-pentamethylundec-3-enamide
CID 22796786

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate?
The IUPAC name of prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate (CID 54552604) is prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate.
What is the SMILES notation for prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate?
The canonical SMILES for prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate is C=CCOC(=O)C=CC=CCC(C)CCCC(C)C.
What is the InChIKey of prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate?
The InChIKey is ZKYPNSVPPQLSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-5-14-19-17(18)13-8-6-7-11-16(4)12-9-10-15(2)3/h5-8,13,15-16H,1,9-12,14H2,2-4H3.
What are the key properties of prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate?
prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate has a molecular weight of 264.41 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 7,11-dimethyldodeca-2,4-dienoate is sourced from PubChem (CID 54552604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).