(4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene

C25H44 — CID 142837463

IUPAC(4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene
SMILESC=C(/C=C(/CCC)C(C)(C)C(=C)/C=C\C(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C25H44/c1-14-15-21(18-20(3)22(4,5)6)25(12,13)19(2)16-17-24(10,11)23(7,8)9/h16-18H,2-3,14-15H2,1,4-13H3/b17-16-,21-18-
InChIKeyVEXLRDKSHCYZEM-YJRRHQFJSA-N
MW344.63 g/mol
LogP8.53
Rot. Bonds7

About (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene

(4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene (PubChem CID 142837463) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene.

Molecular Properties

Compound Name(4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene
PubChem CID142837463
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Name(4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene
SMILESC=C(/C=C(/CCC)C(C)(C)C(=C)/C=C\C(C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C25H44/c1-14-15-21(18-20(3)22(4,5)6)25(12,13)19(2)16-17-24(10,11)23(7,8)9/h16-18H,2-3,14-15H2,1,4-13H3/b17-16-,21-18-
InChIKeyVEXLRDKSHCYZEM-YJRRHQFJSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene with MolForge

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Related Compounds

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4,8-ditert-butylundeca-4,7-dien-6-one
CID 139998297
(Z)-9,9-dimethyl-8-methylidenedec-6-en-5-one
CID 91607880
(E)-4-tert-butyloct-4-ene
CID 140632550
(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine
CID 129167754
(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
CID 142985174
(E)-5,5,6,6-tetramethylhept-3-en-2-one
CID 12612667
3,6,6-trimethyl-5-methylidenehept-3-en-2-one
CID 123799744
(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene
CID 144514446
bis(2,2-dimethylbutane);tungsten
CID 157126936
(3Z)-N-methyl-N-propylhexa-1,3,5-trien-2-amine
CID 143165077

Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene?
The IUPAC name of (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene (CID 142837463) is (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene.
What is the SMILES notation for (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene?
The canonical SMILES for (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene is C=C(/C=C(/CCC)C(C)(C)C(=C)/C=C\C(C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene?
The InChIKey is VEXLRDKSHCYZEM-YJRRHQFJSA-N. The full InChI is InChI=1S/C25H44/c1-14-15-21(18-20(3)22(4,5)6)25(12,13)19(2)16-17-24(10,11)23(7,8)9/h16-18H,2-3,14-15H2,1,4-13H3/b17-16-,21-18-.
What are the key properties of (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene?
(4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene has a molecular weight of 344.63 g/mol, XLogP of 8.53, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-2,2,3,3,7,7,11,11-octamethyl-6,10-dimethylidene-8-propyldodeca-4,8-diene is sourced from PubChem (CID 142837463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).