1-butan-2-yloxy-4-decoxybenzene

C20H34O2 — CID 14833183

IUPAC1-butan-2-yloxy-4-decoxybenzene
SMILESCCCCCCCCCCOc1ccc(OC(C)CC)cc1
InChIInChI=1S/C20H34O2/c1-4-6-7-8-9-10-11-12-17-21-19-13-15-20(16-14-19)22-18(3)5-2/h13-16,18H,4-12,17H2,1-3H3
InChIKeyDEUSNQIPCYHYGQ-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.38
Rot. Bonds13

About 1-butan-2-yloxy-4-decoxybenzene

1-butan-2-yloxy-4-decoxybenzene (PubChem CID 14833183) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 1-butan-2-yloxy-4-decoxybenzene.

Molecular Properties

Compound Name1-butan-2-yloxy-4-decoxybenzene
PubChem CID14833183
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name1-butan-2-yloxy-4-decoxybenzene
SMILESCCCCCCCCCCOc1ccc(OC(C)CC)cc1
InChIInChI=1S/C20H34O2/c1-4-6-7-8-9-10-11-12-17-21-19-13-15-20(16-14-19)22-18(3)5-2/h13-16,18H,4-12,17H2,1-3H3
InChIKeyDEUSNQIPCYHYGQ-UHFFFAOYSA-N
XLogP6.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
CID 70880864
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-[(2R)-1-butoxypropan-2-yl]oxy-4-(4-octoxyphenyl)benzene
CID 14418859
1,4-dipentoxybenzene
CID 18314717
1-hexoxy-4-[4-[1-[4-(4-hexoxyphenyl)sulfonylphenoxy]ethoxy]phenyl]sulfonylbenzene
CID 139826928
4-hexoxy-N-[2-(4-methylphenoxy)propyl]aniline
CID 54798872
4-hexoxy-N-[2-(4-methoxyphenoxy)propyl]aniline
CID 54798778
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099
1-butoxy-4-pentan-3-yloxybenzene
CID 90865394
butan-2-yl 4-hexoxybenzoate
CID 82186259
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yloxy-4-decoxybenzene?
The IUPAC name of 1-butan-2-yloxy-4-decoxybenzene (CID 14833183) is 1-butan-2-yloxy-4-decoxybenzene.
What is the SMILES notation for 1-butan-2-yloxy-4-decoxybenzene?
The canonical SMILES for 1-butan-2-yloxy-4-decoxybenzene is CCCCCCCCCCOc1ccc(OC(C)CC)cc1.
What is the InChIKey of 1-butan-2-yloxy-4-decoxybenzene?
The InChIKey is DEUSNQIPCYHYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-4-6-7-8-9-10-11-12-17-21-19-13-15-20(16-14-19)22-18(3)5-2/h13-16,18H,4-12,17H2,1-3H3.
What are the key properties of 1-butan-2-yloxy-4-decoxybenzene?
1-butan-2-yloxy-4-decoxybenzene has a molecular weight of 306.49 g/mol, XLogP of 6.38, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-4-decoxybenzene is sourced from PubChem (CID 14833183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).