2,2-dimethoxyundecan-3-ylbenzene

C19H32O2 — CID 152553562

IUPAC2,2-dimethoxyundecan-3-ylbenzene
SMILESCCCCCCCCC(c1ccccc1)C(C)(OC)OC
InChIInChI=1S/C19H32O2/c1-5-6-7-8-9-13-16-18(19(2,20-3)21-4)17-14-11-10-12-15-17/h10-12,14-15,18H,5-9,13,16H2,1-4H3
InChIKeyYNZNPUMYOBTIFA-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.53
Rot. Bonds11

About 2,2-dimethoxyundecan-3-ylbenzene

2,2-dimethoxyundecan-3-ylbenzene (PubChem CID 152553562) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2,2-dimethoxyundecan-3-ylbenzene.

Molecular Properties

Compound Name2,2-dimethoxyundecan-3-ylbenzene
PubChem CID152553562
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2,2-dimethoxyundecan-3-ylbenzene
SMILESCCCCCCCCC(c1ccccc1)C(C)(OC)OC
InChIInChI=1S/C19H32O2/c1-5-6-7-8-9-13-16-18(19(2,20-3)21-4)17-14-11-10-12-15-17/h10-12,14-15,18H,5-9,13,16H2,1-4H3
InChIKeyYNZNPUMYOBTIFA-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-2-methylundecan-3-yl)benzene
CID 151297079
2,2-dichloroundecan-3-ylbenzene
CID 151571814
1-[4-(2,2-dimethoxyundecan-3-yl)phenyl]-2,3,4,5,6-pentafluorobenzene
CID 150894829
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
2-amino-2-methyl-3-phenyldodecan-1-ol
CID 174465183
3-ethyl-4-phenyloctadecan-3-amine;hydrochloride
CID 173426899
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
1,1,2-triphenyltetradecan-1-amine
CID 87776795
1,1,2-triphenylhexadecylphosphane;hydrochloride
CID 118389380
5-phenyl-4-propylpentadecan-4-amine;hydrochloride
CID 173426858
azanium 2-methyl-3-phenylpentadecane-2-sulfonate
CID 140998618
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyundecan-3-ylbenzene?
The IUPAC name of 2,2-dimethoxyundecan-3-ylbenzene (CID 152553562) is 2,2-dimethoxyundecan-3-ylbenzene.
What is the SMILES notation for 2,2-dimethoxyundecan-3-ylbenzene?
The canonical SMILES for 2,2-dimethoxyundecan-3-ylbenzene is CCCCCCCCC(c1ccccc1)C(C)(OC)OC.
What is the InChIKey of 2,2-dimethoxyundecan-3-ylbenzene?
The InChIKey is YNZNPUMYOBTIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-5-6-7-8-9-13-16-18(19(2,20-3)21-4)17-14-11-10-12-15-17/h10-12,14-15,18H,5-9,13,16H2,1-4H3.
What are the key properties of 2,2-dimethoxyundecan-3-ylbenzene?
2,2-dimethoxyundecan-3-ylbenzene has a molecular weight of 292.46 g/mol, XLogP of 5.53, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyundecan-3-ylbenzene is sourced from PubChem (CID 152553562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).