[(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate

C23H36O2 — CID 144561415

IUPAC[(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate
SMILESC=C/C(=C\C=C(C)\C=C(C)/C=C\C)OC(=O)C(CC(C)(C)C)C(C)C
InChIInChI=1S/C23H36O2/c1-10-12-18(5)15-19(6)13-14-20(11-2)25-22(24)21(17(3)4)16-23(7,8)9/h10-15,17,21H,2,16H2,1,3-9H3/b12-10-,18-15-,19-13+,20-14+
InChIKeyPVBARSHUHGSRDM-FUCSEVFOSA-N
MW344.54 g/mol
LogP6.78
Rot. Bonds8

About [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate

[(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate (PubChem CID 144561415) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name[(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate
PubChem CID144561415
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name[(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate
SMILESC=C/C(=C\C=C(C)\C=C(C)/C=C\C)OC(=O)C(CC(C)(C)C)C(C)C
InChIInChI=1S/C23H36O2/c1-10-12-18(5)15-19(6)13-14-20(11-2)25-22(24)21(17(3)4)16-23(7,8)9/h10-15,17,21H,2,16H2,1,3-9H3/b12-10-,18-15-,19-13+,20-14+
InChIKeyPVBARSHUHGSRDM-FUCSEVFOSA-N
XLogP6.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate 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

6-Ethenyl-4-methyl-3-(2-methylpropyl)-3h-pyran-2-one
CID 45376874
Methyl 2-(3-methoxy-2,6,6-trimethylcyclohexa-2,4-dien-1-yl)acetate
CID 53348316
methyl (7R)-7-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-methoxycyclohepta-1,5-diene-1-carboxylate
CID 134952858
[(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dien-2-yl] butanoate
CID 16113864
4-(2,6,6-Trimethylcyclohex-2-en-1-yl)buta-1,3-dien-2-yl butanoate
CID 91009190
(5,5-Dimethylcyclohepta-1,3,6-trien-1-yl) 2,2,4-triethyl-4-methylhexanoate
CID 123275640
7-(1-Methoxy-2-methylpropoxy)octa-3,5,7-trien-4-yl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 123492932
[(3E,5Z)-hepta-1,3,5-trien-3-yl] 2-tert-butyl-4,4-dimethylpentanoate
CID 126604840
[(3E)-hexa-1,3,5-trien-3-yl] 2-tert-butyl-4,4-dimethylpentanoate
CID 129231496
[(2E,4Z)-2-ethylhexa-2,4-dienyl] 2-ethyl-4,4-dimethylpentanoate
CID 129281720
5-[(1Z)-buta-1,3-dienyl]-3,4-ditert-butyl-6-ethenyl-3,4-dihydropyran-2-one
CID 130354377
[(3E)-3-(3-methylidene-6-oxopyran-2-ylidene)prop-1-en-2-yl] 2-tert-butyl-2,4,4-trimethylpentanoate
CID 142364105

Frequently Asked Questions

What is the IUPAC name of [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate?
The IUPAC name of [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate (CID 144561415) is [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate.
What is the SMILES notation for [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate?
The canonical SMILES for [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate is C=C/C(=C\C=C(C)\C=C(C)/C=C\C)OC(=O)C(CC(C)(C)C)C(C)C.
What is the InChIKey of [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate?
The InChIKey is PVBARSHUHGSRDM-FUCSEVFOSA-N. The full InChI is InChI=1S/C23H36O2/c1-10-12-18(5)15-19(6)13-14-20(11-2)25-22(24)21(17(3)4)16-23(7,8)9/h10-15,17,21H,2,16H2,1,3-9H3/b12-10-,18-15-,19-13+,20-14+.
What are the key properties of [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate?
[(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate has a molecular weight of 344.54 g/mol, XLogP of 6.78, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E,7Z,9Z)-6,8-dimethylundeca-1,3,5,7,9-pentaen-3-yl] 4,4-dimethyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 144561415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).