1-decoxy-4-(2-methylpropyl)benzene

C20H34O — CID 58996843

IUPAC1-decoxy-4-(2-methylpropyl)benzene
SMILESCCCCCCCCCCOc1ccc(CC(C)C)cc1
InChIInChI=1S/C20H34O/c1-4-5-6-7-8-9-10-11-16-21-20-14-12-19(13-15-20)17-18(2)3/h12-15,18H,4-11,16-17H2,1-3H3
InChIKeyUSVSBXYMZPZIKK-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.40
Rot. Bonds12

About 1-decoxy-4-(2-methylpropyl)benzene

1-decoxy-4-(2-methylpropyl)benzene (PubChem CID 58996843) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-decoxy-4-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-decoxy-4-(2-methylpropyl)benzene
PubChem CID58996843
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1-decoxy-4-(2-methylpropyl)benzene
SMILESCCCCCCCCCCOc1ccc(CC(C)C)cc1
InChIInChI=1S/C20H34O/c1-4-5-6-7-8-9-10-11-16-21-20-14-12-19(13-15-20)17-18(2)3/h12-15,18H,4-11,16-17H2,1-3H3
InChIKeyUSVSBXYMZPZIKK-UHFFFAOYSA-N
XLogP6.40
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 ≤ 56.40
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

(4-octoxyphenyl) 4-(2-methylpropyl)benzoate
CID 71383537
[4-(2-methylpropyl)phenyl] 4-pentoxybenzoate
CID 71383533
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
N-ethyl-1-(4-heptoxyphenyl)propan-2-amine
CID 115494863
1,4-dipentoxybenzene
CID 18314717
1-[4-(2-methylpropyl)phenyl]-3-(4-octoxyphenyl)prop-2-ene-1-thione
CID 88620439
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
1-(2-methylpent-3-ynyl)-4-pentoxybenzene
CID 83932597
2-amino-3-(4-hexoxyphenyl)propan-1-ol;hydrochloride
CID 170892011

Frequently Asked Questions

What is the IUPAC name of 1-decoxy-4-(2-methylpropyl)benzene?
The IUPAC name of 1-decoxy-4-(2-methylpropyl)benzene (CID 58996843) is 1-decoxy-4-(2-methylpropyl)benzene.
What is the SMILES notation for 1-decoxy-4-(2-methylpropyl)benzene?
The canonical SMILES for 1-decoxy-4-(2-methylpropyl)benzene is CCCCCCCCCCOc1ccc(CC(C)C)cc1.
What is the InChIKey of 1-decoxy-4-(2-methylpropyl)benzene?
The InChIKey is USVSBXYMZPZIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-4-5-6-7-8-9-10-11-16-21-20-14-12-19(13-15-20)17-18(2)3/h12-15,18H,4-11,16-17H2,1-3H3.
What are the key properties of 1-decoxy-4-(2-methylpropyl)benzene?
1-decoxy-4-(2-methylpropyl)benzene has a molecular weight of 290.49 g/mol, XLogP of 6.40, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxy-4-(2-methylpropyl)benzene is sourced from PubChem (CID 58996843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).