2-(1,1-dimethoxyethyl)decylbenzene

C20H34O2 — CID 151688969

IUPAC2-(1,1-dimethoxyethyl)decylbenzene
SMILESCCCCCCCCC(Cc1ccccc1)C(C)(OC)OC
InChIInChI=1S/C20H34O2/c1-5-6-7-8-9-13-16-19(20(2,21-3)22-4)17-18-14-11-10-12-15-18/h10-12,14-15,19H,5-9,13,16-17H2,1-4H3
InChIKeyRCDNRRMKFKDANL-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.60
Rot. Bonds12

About 2-(1,1-dimethoxyethyl)decylbenzene

2-(1,1-dimethoxyethyl)decylbenzene (PubChem CID 151688969) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 2-(1,1-dimethoxyethyl)decylbenzene.

Molecular Properties

Compound Name2-(1,1-dimethoxyethyl)decylbenzene
PubChem CID151688969
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name2-(1,1-dimethoxyethyl)decylbenzene
SMILESCCCCCCCCC(Cc1ccccc1)C(C)(OC)OC
InChIInChI=1S/C20H34O2/c1-5-6-7-8-9-13-16-19(20(2,21-3)22-4)17-18-14-11-10-12-15-18/h10-12,14-15,19H,5-9,13,16-17H2,1-4H3
InChIKeyRCDNRRMKFKDANL-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.60
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

1-[2-(1,1-dimethoxyethyl)decyl]-3-(trifluoromethyl)benzene
CID 151612561
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
3-benzyl-2-methyltridecan-2-amine
CID 11153328
(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
CID 173157860
3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757
N-[5-(1,1-dimethoxyethyl)tridecyl]aniline
CID 151722105
2-(1,1,1-trichloro-2-methoxypentan-2-yl)nonylbenzene
CID 152703640
(6-benzyl-5-butyltetradecan-5-yl)arsane
CID 173347264
3-(trimethoxymethyl)decylbenzene
CID 151123781
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
(6-benzyl-5-butyltetradecan-5-yl)arsane;hydrate
CID 173347263
(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide
CID 173157523

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethoxyethyl)decylbenzene?
The IUPAC name of 2-(1,1-dimethoxyethyl)decylbenzene (CID 151688969) is 2-(1,1-dimethoxyethyl)decylbenzene.
What is the SMILES notation for 2-(1,1-dimethoxyethyl)decylbenzene?
The canonical SMILES for 2-(1,1-dimethoxyethyl)decylbenzene is CCCCCCCCC(Cc1ccccc1)C(C)(OC)OC.
What is the InChIKey of 2-(1,1-dimethoxyethyl)decylbenzene?
The InChIKey is RCDNRRMKFKDANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-5-6-7-8-9-13-16-19(20(2,21-3)22-4)17-18-14-11-10-12-15-18/h10-12,14-15,19H,5-9,13,16-17H2,1-4H3.
What are the key properties of 2-(1,1-dimethoxyethyl)decylbenzene?
2-(1,1-dimethoxyethyl)decylbenzene has a molecular weight of 306.49 g/mol, XLogP of 5.60, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethoxyethyl)decylbenzene is sourced from PubChem (CID 151688969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).