1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene

C25H38O — CID 142051706

IUPAC1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene
SMILESC/C=C(C)/C=C/C(C)=C(/C)c1cc(C(C)C)cc(C(C)C)c1OCCC
InChIInChI=1S/C25H38O/c1-10-14-26-25-23(18(5)6)15-22(17(3)4)16-24(25)21(9)20(8)13-12-19(7)11-2/h11-13,15-18H,10,14H2,1-9H3/b13-12+,19-11+,21-20-
InChIKeyGMOSNJZTDBYFND-WGLWRALUSA-N
MW354.58 g/mol
LogP8.04
Rot. Bonds8

About 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene

1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene (PubChem CID 142051706) has the molecular formula C25H38O and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene.

Molecular Properties

Compound Name1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene
PubChem CID142051706
Molecular FormulaC25H38O
Molecular Weight354.58 g/mol
Exact Mass354.29
IUPAC Name1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene
SMILESC/C=C(C)/C=C/C(C)=C(/C)c1cc(C(C)C)cc(C(C)C)c1OCCC
InChIInChI=1S/C25H38O/c1-10-14-26-25-23(18(5)6)15-22(17(3)4)16-24(25)21(9)20(8)13-12-19(7)11-2/h11-13,15-18H,10,14H2,1-9H3/b13-12+,19-11+,21-20-
InChIKeyGMOSNJZTDBYFND-WGLWRALUSA-N
XLogP8.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[2-butoxy-3,5-di(propan-2-yl)phenyl]but-2-enal
CID 177470115
(2E,4E,6Z)-7-[2-hexoxy-3,5-di(propan-2-yl)phenyl]-3-methylocta-2,4,6-trienal
CID 142245881
2-hexoxy-3,5-di(propan-2-yl)benzoic acid
CID 59083270
5-[2-[3,5-di(propan-2-yl)-2-propoxyphenyl]phenyl]-3-methylpenta-2,4-dienoic acid
CID 85040938
ethyl (2E,4E,6Z)-7-[2-ethoxy-3,5-di(propan-2-yl)phenyl]-3-methylocta-2,4,6-trienoate
CID 10872705
(Z)-3-[2-hexoxy-3,5-di(propan-2-yl)phenyl]but-2-enal;(Z)-3-[2-hexoxy-3,5-di(propan-2-yl)phenyl]but-2-enenitrile;(2E,4E,6Z)-7-[2-hexoxy-3,5-di(propan-2-yl)phenyl]-3-methylocta-2,4,6-trienoic acid;2-hexoxy-1-[(2Z,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)benzene;(E)-3-methylpent-3-enal
CID 162218547
ethyl 5-chloro-3-propan-2-yl-2-propoxybenzoate
CID 82552792
3-[4-[3,5-di(propan-2-yl)-2-propoxyphenyl]-1-benzothiophen-2-yl]prop-2-enoic acid
CID 66896797
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
(Z)-3-[2-methoxy-3,5-di(propan-2-yl)phenyl]but-2-enal
CID 11139861
1,3,5-tri(propan-2-yl)-2-[2-(1-propan-2-yloxyethoxy)ethoxy]benzene
CID 59782939
[2,4,6-tri(propan-2-yl)phenyl] prop-2-ene-1-sulfonate
CID 175284846

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene?
The IUPAC name of 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene (CID 142051706) is 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene.
What is the SMILES notation for 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene?
The canonical SMILES for 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene is C/C=C(C)/C=C/C(C)=C(/C)c1cc(C(C)C)cc(C(C)C)c1OCCC.
What is the InChIKey of 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene?
The InChIKey is GMOSNJZTDBYFND-WGLWRALUSA-N. The full InChI is InChI=1S/C25H38O/c1-10-14-26-25-23(18(5)6)15-22(17(3)4)16-24(25)21(9)20(8)13-12-19(7)11-2/h11-13,15-18H,10,14H2,1-9H3/b13-12+,19-11+,21-20-.
What are the key properties of 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene?
1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene has a molecular weight of 354.58 g/mol, XLogP of 8.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E,6E)-3,6-dimethylocta-2,4,6-trien-2-yl]-3,5-di(propan-2-yl)-2-propoxybenzene is sourced from PubChem (CID 142051706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).