(5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene

C18H28O3 — CID 71383868

IUPAC(5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene
SMILESCCOC(OCC)C(=CCCc1ccccc1)OC(C)C
InChIInChI=1S/C18H28O3/c1-5-19-18(20-6-2)17(21-15(3)4)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,14-15,18H,5-6,10,13H2,1-4H3
InChIKeyWBZPEMBXDSDWDQ-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.33
Rot. Bonds10

About (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene

(5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene (PubChem CID 71383868) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene.

Molecular Properties

Compound Name(5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene
PubChem CID71383868
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene
SMILESCCOC(OCC)C(=CCCc1ccccc1)OC(C)C
InChIInChI=1S/C18H28O3/c1-5-19-18(20-6-2)17(21-15(3)4)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,14-15,18H,5-6,10,13H2,1-4H3
InChIKeyWBZPEMBXDSDWDQ-UHFFFAOYSA-N
XLogP4.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene 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

1,1-diethoxyethane;2-phenylethylbenzene
CID 66689331
[(E)-4,5-dimethylhex-3-enyl]benzene
CID 14959713
(1-ethoxy-3-phenylpropyl) prop-2-enoate
CID 118662658
ethyl (E)-5-phenyl-2-(trifluoromethyl)pent-2-enoate
CID 143963074
[5,5-diethoxy-3-(3-methylbutoxy)pentyl]benzene
CID 71383867
4-chloropent-3-enylbenzene
CID 71383765
diethyl (2E)-2-(3-phenylpropylidene)butanedioate
CID 11011721
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830
5-phenyl-1-propan-2-yloxypentan-2-ol
CID 14984664
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
Se-phenyl 2-ethoxy-4-phenylbutaneselenoate
CID 11067999

Frequently Asked Questions

What is the IUPAC name of (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene?
The IUPAC name of (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene (CID 71383868) is (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene.
What is the SMILES notation for (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene?
The canonical SMILES for (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene is CCOC(OCC)C(=CCCc1ccccc1)OC(C)C.
What is the InChIKey of (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene?
The InChIKey is WBZPEMBXDSDWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-5-19-18(20-6-2)17(21-15(3)4)14-10-13-16-11-8-7-9-12-16/h7-9,11-12,14-15,18H,5-6,10,13H2,1-4H3.
What are the key properties of (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene?
(5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene has a molecular weight of 292.42 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-diethoxy-4-propan-2-yloxypent-3-enyl)benzene is sourced from PubChem (CID 71383868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).