(3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene

C21H26 — CID 144536810

IUPAC(3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C\CC(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C21H26/c1-16(2)12-14-20(7)18(5)10-9-11-19(6)21(8)15-13-17(3)4/h9-10,12-15H,1,3,5-8,11H2,2,4H3/b10-9-,14-12-,15-13-
InChIKeyOCCDPWIGVKISPN-SYUGFTCTSA-N
MW278.44 g/mol
LogP6.42
Rot. Bonds9

About (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene

(3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene (PubChem CID 144536810) has the molecular formula C21H26 and a molecular weight of 278.44 g/mol. Its IUPAC name is (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene.

Molecular Properties

Compound Name(3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene
PubChem CID144536810
Molecular FormulaC21H26
Molecular Weight278.44 g/mol
Exact Mass278.20
IUPAC Name(3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene
SMILESC=C(C)/C=C\C(=C)C(=C)/C=C\CC(=C)C(=C)/C=C\C(=C)C
InChIInChI=1S/C21H26/c1-16(2)12-14-20(7)18(5)10-9-11-19(6)21(8)15-13-17(3)4/h9-10,12-15H,1,3,5-8,11H2,2,4H3/b10-9-,14-12-,15-13-
InChIKeyOCCDPWIGVKISPN-SYUGFTCTSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene with MolForge

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Related Compounds

2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
ethyl 5-methylhexa-3,5-dienoate
CID 54020800
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
(3Z,7Z,9Z)-2,9-dimethyl-5,6-dimethylideneundeca-1,3,7,9-tetraene;ethane
CID 143933748
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide
CID 156853441
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene?
The IUPAC name of (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene (CID 144536810) is (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene.
What is the SMILES notation for (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene?
The canonical SMILES for (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene is C=C(C)/C=C\C(=C)C(=C)/C=C\CC(=C)C(=C)/C=C\C(=C)C.
What is the InChIKey of (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene?
The InChIKey is OCCDPWIGVKISPN-SYUGFTCTSA-N. The full InChI is InChI=1S/C21H26/c1-16(2)12-14-20(7)18(5)10-9-11-19(6)21(8)15-13-17(3)4/h9-10,12-15H,1,3,5-8,11H2,2,4H3/b10-9-,14-12-,15-13-.
What are the key properties of (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene?
(3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene has a molecular weight of 278.44 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene is sourced from PubChem (CID 144536810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).