2,6-dimethyldodecoxybenzene

C20H34O — CID 163303723

IUPAC2,6-dimethyldodecoxybenzene
SMILESCCCCCCC(C)CCCC(C)COc1ccccc1
InChIInChI=1S/C20H34O/c1-4-5-6-8-12-18(2)13-11-14-19(3)17-21-20-15-9-7-10-16-20/h7,9-10,15-16,18-19H,4-6,8,11-14,17H2,1-3H3
InChIKeyGMWXJRLEUDOXPN-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.48
Rot. Bonds12

About 2,6-dimethyldodecoxybenzene

2,6-dimethyldodecoxybenzene (PubChem CID 163303723) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 2,6-dimethyldodecoxybenzene.

Molecular Properties

Compound Name2,6-dimethyldodecoxybenzene
PubChem CID163303723
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name2,6-dimethyldodecoxybenzene
SMILESCCCCCCC(C)CCCC(C)COc1ccccc1
InChIInChI=1S/C20H34O/c1-4-5-6-8-12-18(2)13-11-14-19(3)17-21-20-15-9-7-10-16-20/h7,9-10,15-16,18-19H,4-6,8,11-14,17H2,1-3H3
InChIKeyGMWXJRLEUDOXPN-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyltetradecoxybenzene
CID 163303720
1-phenoxytetradecan-2-ol
CID 11609222
1-phenoxyheptan-2-ol
CID 12731443
N-methyl-1-phenoxynonan-2-amine
CID 63416660
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
N-ethyl-1-phenoxydecan-2-amine
CID 63416219
N-ethyl-1-phenoxyhexadecan-2-amine
CID 24936576
1-phenoxydecan-2-ylhydrazine
CID 105212962
2-[4-(2-methylundecoxy)phenyl]propanoic acid
CID 58795117
10-methyldodecoxybenzene
CID 143389992
2-(1-phenoxynonan-2-yl)phenol
CID 175286505
1-phenoxy-N-propyldecan-2-amine
CID 63416663

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyldodecoxybenzene?
The IUPAC name of 2,6-dimethyldodecoxybenzene (CID 163303723) is 2,6-dimethyldodecoxybenzene.
What is the SMILES notation for 2,6-dimethyldodecoxybenzene?
The canonical SMILES for 2,6-dimethyldodecoxybenzene is CCCCCCC(C)CCCC(C)COc1ccccc1.
What is the InChIKey of 2,6-dimethyldodecoxybenzene?
The InChIKey is GMWXJRLEUDOXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-4-5-6-8-12-18(2)13-11-14-19(3)17-21-20-15-9-7-10-16-20/h7,9-10,15-16,18-19H,4-6,8,11-14,17H2,1-3H3.
What are the key properties of 2,6-dimethyldodecoxybenzene?
2,6-dimethyldodecoxybenzene has a molecular weight of 290.49 g/mol, XLogP of 6.48, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyldodecoxybenzene is sourced from PubChem (CID 163303723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).