10-methyldodecoxybenzene

C19H32O — CID 143389992

IUPAC10-methyldodecoxybenzene
SMILESCCC(C)CCCCCCCCCOc1ccccc1
InChIInChI=1S/C19H32O/c1-3-18(2)14-10-7-5-4-6-8-13-17-20-19-15-11-9-12-16-19/h9,11-12,15-16,18H,3-8,10,13-14,17H2,1-2H3
InChIKeyGRTIAYDKIYPTNZ-UHFFFAOYSA-N
MW276.46 g/mol
LogP6.23
Rot. Bonds12

About 10-methyldodecoxybenzene

10-methyldodecoxybenzene (PubChem CID 143389992) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 10-methyldodecoxybenzene.

Molecular Properties

Compound Name10-methyldodecoxybenzene
PubChem CID143389992
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name10-methyldodecoxybenzene
SMILESCCC(C)CCCCCCCCCOc1ccccc1
InChIInChI=1S/C19H32O/c1-3-18(2)14-10-7-5-4-6-8-13-17-20-19-15-11-9-12-16-19/h9,11-12,15-16,18H,3-8,10,13-14,17H2,1-2H3
InChIKeyGRTIAYDKIYPTNZ-UHFFFAOYSA-N
XLogP6.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 56.23
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

1-decoxy-4-[4-(6-methyloctoxy)phenyl]benzene
CID 67920503
1-[(6S)-6-methyldecoxy]-4-phenylbenzene
CID 54076059
2-methyl-6-phenoxy-N-propylhexan-1-amine
CID 64664128
2-[(7S)-7-methylnonoxy]-5-phenylpyrimidine
CID 173328271
pentoxybenzene;undecane
CID 174778179
2,6-dimethyldodecoxybenzene
CID 163303723
2,6-dimethyltetradecoxybenzene
CID 163303720
7,7-dichloroheptoxybenzene
CID 90974620
1-bromo-4-[(4S)-4-methylhexoxy]benzene
CID 14692508
1-[4-[4-(6-methyloctoxy)phenyl]phenyl]ethanone
CID 150349421
6-methyloctyl benzenesulfonate
CID 139642422
5-(6-methyloctoxy)-2-(4-octoxyphenyl)pyrimidine
CID 19869285

Frequently Asked Questions

What is the IUPAC name of 10-methyldodecoxybenzene?
The IUPAC name of 10-methyldodecoxybenzene (CID 143389992) is 10-methyldodecoxybenzene.
What is the SMILES notation for 10-methyldodecoxybenzene?
The canonical SMILES for 10-methyldodecoxybenzene is CCC(C)CCCCCCCCCOc1ccccc1.
What is the InChIKey of 10-methyldodecoxybenzene?
The InChIKey is GRTIAYDKIYPTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-3-18(2)14-10-7-5-4-6-8-13-17-20-19-15-11-9-12-16-19/h9,11-12,15-16,18H,3-8,10,13-14,17H2,1-2H3.
What are the key properties of 10-methyldodecoxybenzene?
10-methyldodecoxybenzene has a molecular weight of 276.46 g/mol, XLogP of 6.23, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyldodecoxybenzene is sourced from PubChem (CID 143389992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).