2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan

C19H28O — CID 170313495

IUPAC2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1ccco1
InChIInChI=1S/C19H28O/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-14-19-12-7-15-20-19/h7-8,10,12-13,15H,5-6,9,11,14H2,1-4H3/b17-10+,18-13+
InChIKeyPSNZAOOOEJFHJU-YAUBYZHOSA-N
MW272.43 g/mol
LogP6.24
Rot. Bonds8

About 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan

2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan (PubChem CID 170313495) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan.

Molecular Properties

Compound Name2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan
PubChem CID170313495
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1ccco1
InChIInChI=1S/C19H28O/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-14-19-12-7-15-20-19/h7-8,10,12-13,15H,5-6,9,11,14H2,1-4H3/b17-10+,18-13+
InChIKeyPSNZAOOOEJFHJU-YAUBYZHOSA-N
XLogP6.24
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.43
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan with MolForge

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Related Compounds

1-(furan-2-yl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
CID 69178504
S-(furan-2-ylmethyl) (2E)-3,7-dimethylocta-2,6-dienethioate
CID 11807557
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-pyrrole
CID 53325757
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
1-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzene
CID 101222163
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
2,3-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione
CID 53363554
2-[(2E,6E,10E,14E,18E,22Z,26E,30E,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methylnaphthalene-1,4-diol
CID 175684261

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan?
The IUPAC name of 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan (CID 170313495) is 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan.
What is the SMILES notation for 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan?
The canonical SMILES for 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan is CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1ccco1.
What is the InChIKey of 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan?
The InChIKey is PSNZAOOOEJFHJU-YAUBYZHOSA-N. The full InChI is InChI=1S/C19H28O/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-14-19-12-7-15-20-19/h7-8,10,12-13,15H,5-6,9,11,14H2,1-4H3/b17-10+,18-13+.
What are the key properties of 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan?
2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan has a molecular weight of 272.43 g/mol, XLogP of 6.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]furan is sourced from PubChem (CID 170313495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).