2,4-dimethoxy-1-oct-1-en-2-ylbenzene

C16H24O2 — CID 101483089

IUPAC2,4-dimethoxy-1-oct-1-en-2-ylbenzene
SMILESC=C(CCCCCC)c1ccc(OC)cc1OC
InChIInChI=1S/C16H24O2/c1-5-6-7-8-9-13(2)15-11-10-14(17-3)12-16(15)18-4/h10-12H,2,5-9H2,1,3-4H3
InChIKeyQCTYGRFSKPIPEG-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.69
Rot. Bonds8

About 2,4-dimethoxy-1-oct-1-en-2-ylbenzene

2,4-dimethoxy-1-oct-1-en-2-ylbenzene (PubChem CID 101483089) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2,4-dimethoxy-1-oct-1-en-2-ylbenzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-oct-1-en-2-ylbenzene
PubChem CID101483089
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2,4-dimethoxy-1-oct-1-en-2-ylbenzene
SMILESC=C(CCCCCC)c1ccc(OC)cc1OC
InChIInChI=1S/C16H24O2/c1-5-6-7-8-9-13(2)15-11-10-14(17-3)12-16(15)18-4/h10-12H,2,5-9H2,1,3-4H3
InChIKeyQCTYGRFSKPIPEG-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[1-(2,4-dimethoxyphenyl)dodecylidene]hydroxylamine
CID 6534422
(E)-3-(2,4-dimethoxyphenyl)oct-2-enoic acid
CID 10516728
2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
(4-methoxy-2-nonanoyloxyphenyl) nonanoate
CID 140675759
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
ethyl 8-(2,4-dimethoxyphenyl)-8-oxooctanoate
CID 24727597
1-(2,4,6-trimethoxyphenyl)dodecan-1-one
CID 11617254
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
2-heptyl-4-methoxybenzoic acid
CID 174870119

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-oct-1-en-2-ylbenzene?
The IUPAC name of 2,4-dimethoxy-1-oct-1-en-2-ylbenzene (CID 101483089) is 2,4-dimethoxy-1-oct-1-en-2-ylbenzene.
What is the SMILES notation for 2,4-dimethoxy-1-oct-1-en-2-ylbenzene?
The canonical SMILES for 2,4-dimethoxy-1-oct-1-en-2-ylbenzene is C=C(CCCCCC)c1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-1-oct-1-en-2-ylbenzene?
The InChIKey is QCTYGRFSKPIPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-6-7-8-9-13(2)15-11-10-14(17-3)12-16(15)18-4/h10-12H,2,5-9H2,1,3-4H3.
What are the key properties of 2,4-dimethoxy-1-oct-1-en-2-ylbenzene?
2,4-dimethoxy-1-oct-1-en-2-ylbenzene has a molecular weight of 248.37 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-oct-1-en-2-ylbenzene is sourced from PubChem (CID 101483089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).