2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran

C24H34O3 — CID 154075811

IUPAC2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran
SMILESCCC(CCC=C(C)CCC=C(C)C)c1cc2cc(OC)c(OC)cc2o1
InChIInChI=1S/C24H34O3/c1-7-19(13-9-12-18(4)11-8-10-17(2)3)21-14-20-15-23(25-5)24(26-6)16-22(20)27-21/h10,12,14-16,19H,7-9,11,13H2,1-6H3
InChIKeyNWFFHJHUVUTASR-UHFFFAOYSA-N
MW370.53 g/mol
LogP7.42
Rot. Bonds10

About 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran

2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran (PubChem CID 154075811) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran.

Molecular Properties

Compound Name2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran
PubChem CID154075811
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran
SMILESCCC(CCC=C(C)CCC=C(C)C)c1cc2cc(OC)c(OC)cc2o1
InChIInChI=1S/C24H34O3/c1-7-19(13-9-12-18(4)11-8-10-17(2)3)21-14-20-15-23(25-5)24(26-6)16-22(20)27-21/h10,12,14-16,19H,7-9,11,13H2,1-6H3
InChIKeyNWFFHJHUVUTASR-UHFFFAOYSA-N
XLogP7.42
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,5E)-2-(5-hydroxy-1-benzofuran-2-yl)-6,10-dimethylundeca-5,9-dienoic acid
CID 163043900
3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one
CID 53484007
(4E)-1-(5,6-dimethoxy-1-methylindol-2-yl)-5,9-dimethyldeca-4,8-dien-1-one
CID 134495466
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethyl-1,3-dimethoxybenzene
CID 167459397
4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol
CID 10934350
1-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methoxybenzene
CID 68508341
2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-6-methoxybenzene-1,4-diol
CID 50986202
2-[(2Z,6E,10E,14E,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-6-methoxybenzene-1,4-diol
CID 53481383
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782

Frequently Asked Questions

What is the IUPAC name of 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran?
The IUPAC name of 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran (CID 154075811) is 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran.
What is the SMILES notation for 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran?
The canonical SMILES for 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran is CCC(CCC=C(C)CCC=C(C)C)c1cc2cc(OC)c(OC)cc2o1.
What is the InChIKey of 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran?
The InChIKey is NWFFHJHUVUTASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O3/c1-7-19(13-9-12-18(4)11-8-10-17(2)3)21-14-20-15-23(25-5)24(26-6)16-22(20)27-21/h10,12,14-16,19H,7-9,11,13H2,1-6H3.
What are the key properties of 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran?
2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran has a molecular weight of 370.53 g/mol, XLogP of 7.42, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran is sourced from PubChem (CID 154075811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).