2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene

C14H18 — CID 123828527

IUPAC2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C(C)C=CC(=C)C(=C)C=CC(=C)C
InChIInChI=1S/C14H18/c1-11(2)7-9-13(5)14(6)10-8-12(3)4/h7-10H,1,3,5-6H2,2,4H3
InChIKeyKLBSRUBXORSBSD-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.36
Rot. Bonds5

About 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene

2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene (PubChem CID 123828527) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene.

Molecular Properties

Compound Name2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
PubChem CID123828527
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
SMILESC=C(C)C=CC(=C)C(=C)C=CC(=C)C
InChIInChI=1S/C14H18/c1-11(2)7-9-13(5)14(6)10-8-12(3)4/h7-10H,1,3,5-6H2,2,4H3
InChIKeyKLBSRUBXORSBSD-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(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,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
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)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
ethane;(4Z)-6-methyl-3-methylidenehepta-1,4,6-trien-2-amine
CID 143072241
(3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene
CID 144536810
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide
CID 156853441

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The IUPAC name of 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene (CID 123828527) is 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene.
What is the SMILES notation for 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The canonical SMILES for 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene is C=C(C)C=CC(=C)C(=C)C=CC(=C)C.
What is the InChIKey of 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
The InChIKey is KLBSRUBXORSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-11(2)7-9-13(5)14(6)10-8-12(3)4/h7-10H,1,3,5-6H2,2,4H3.
What are the key properties of 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene?
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene has a molecular weight of 186.30 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene is sourced from PubChem (CID 123828527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).