6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene

C21H34 — CID 123435944

IUPAC6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene
SMILESC=C(C=CC(=CC=C(C)C=CC(C)(C)CC)CC)C(C)C
InChIInChI=1S/C21H34/c1-9-20(14-12-19(6)17(3)4)13-11-18(5)15-16-21(7,8)10-2/h11-17H,6,9-10H2,1-5,7-8H3
InChIKeyXPNQIMIOCBMFBH-UHFFFAOYSA-N
MW286.50 g/mol
LogP7.03
Rot. Bonds8

About 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene

6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene (PubChem CID 123435944) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene.

Molecular Properties

Compound Name6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene
PubChem CID123435944
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene
SMILESC=C(C=CC(=CC=C(C)C=CC(C)(C)CC)CC)C(C)C
InChIInChI=1S/C21H34/c1-9-20(14-12-19(6)17(3)4)13-11-18(5)15-16-21(7,8)10-2/h11-17H,6,9-10H2,1-5,7-8H3
InChIKeyXPNQIMIOCBMFBH-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene with MolForge

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Related Compounds

(Z)-5,5-dimethyl-2-methylidenehept-3-en-1-ol
CID 143451353
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane
CID 144746794
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene
CID 158024808
(3E,5Z)-8-methyl-7-methylidenenona-1,3,5-trien-4-amine
CID 144536498
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
(3Z,5Z)-5-ethyl-2-propan-2-yloxyhepta-1,3,5-triene
CID 88543617
(2Z,4Z)-7-methyl-6-methylideneocta-2,4-dien-2-amine
CID 90277185
2,3-dimethylpent-1-ene;3,3-dimethylpent-1-ene;methane;(Z)-3-methylhex-3-ene
CID 159832384
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
(E)-5,5-dimethylhept-3-en-2-amine
CID 131248121
(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene
CID 142047079

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene?
The IUPAC name of 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene (CID 123435944) is 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene.
What is the SMILES notation for 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene?
The canonical SMILES for 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene is C=C(C=CC(=CC=C(C)C=CC(C)(C)CC)CC)C(C)C.
What is the InChIKey of 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene?
The InChIKey is XPNQIMIOCBMFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-9-20(14-12-19(6)17(3)4)13-11-18(5)15-16-21(7,8)10-2/h11-17H,6,9-10H2,1-5,7-8H3.
What are the key properties of 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene?
6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene has a molecular weight of 286.50 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,9,12,12-tetramethyl-3-methylidenetetradeca-4,6,8,10-tetraene is sourced from PubChem (CID 123435944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).