(2,2-diethoxy-3-ethylundecyl)benzene

C23H40O2 — CID 151495394

IUPAC(2,2-diethoxy-3-ethylundecyl)benzene
SMILESCCCCCCCCC(CC)C(Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C23H40O2/c1-5-9-10-11-12-16-19-22(6-2)23(24-7-3,25-8-4)20-21-17-14-13-15-18-21/h13-15,17-18,22H,5-12,16,19-20H2,1-4H3
InChIKeyPPHVLXUGYDKCPQ-UHFFFAOYSA-N
MW348.57 g/mol
LogP6.78
Rot. Bonds15

About (2,2-diethoxy-3-ethylundecyl)benzene

(2,2-diethoxy-3-ethylundecyl)benzene (PubChem CID 151495394) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is (2,2-diethoxy-3-ethylundecyl)benzene.

Molecular Properties

Compound Name(2,2-diethoxy-3-ethylundecyl)benzene
PubChem CID151495394
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Name(2,2-diethoxy-3-ethylundecyl)benzene
SMILESCCCCCCCCC(CC)C(Cc1ccccc1)(OCC)OCC
InChIInChI=1S/C23H40O2/c1-5-9-10-11-12-16-19-22(6-2)23(24-7-3,25-8-4)20-21-17-14-13-15-18-21/h13-15,17-18,22H,5-12,16,19-20H2,1-4H3
InChIKeyPPHVLXUGYDKCPQ-UHFFFAOYSA-N
XLogP6.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.78
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

5,5-diethoxy-6-ethyltetradecane
CID 150494826
2-(1,1-diethoxy-2-ethyldecyl)phenol
CID 151998157
N-benzyl-5-(triethoxymethyl)tridecan-1-amine
CID 151287548
4,4-diethoxy-5-propyltridecane
CID 152734568
(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide
CID 173157523
2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
CID 173158521
(3-ethyl-2-methylnonan-2-yl)benzene
CID 143461703
3-(trimethoxymethyl)decylbenzene
CID 151123781
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
3-benzyl-2-methyltridecan-2-amine
CID 11153328
(1,1-dimethoxy-2-octylundecyl)benzene
CID 151680252

Frequently Asked Questions

What is the IUPAC name of (2,2-diethoxy-3-ethylundecyl)benzene?
The IUPAC name of (2,2-diethoxy-3-ethylundecyl)benzene (CID 151495394) is (2,2-diethoxy-3-ethylundecyl)benzene.
What is the SMILES notation for (2,2-diethoxy-3-ethylundecyl)benzene?
The canonical SMILES for (2,2-diethoxy-3-ethylundecyl)benzene is CCCCCCCCC(CC)C(Cc1ccccc1)(OCC)OCC.
What is the InChIKey of (2,2-diethoxy-3-ethylundecyl)benzene?
The InChIKey is PPHVLXUGYDKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O2/c1-5-9-10-11-12-16-19-22(6-2)23(24-7-3,25-8-4)20-21-17-14-13-15-18-21/h13-15,17-18,22H,5-12,16,19-20H2,1-4H3.
What are the key properties of (2,2-diethoxy-3-ethylundecyl)benzene?
(2,2-diethoxy-3-ethylundecyl)benzene has a molecular weight of 348.57 g/mol, XLogP of 6.78, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethoxy-3-ethylundecyl)benzene is sourced from PubChem (CID 151495394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).