(2-decoxy-1-phenylhexyl)benzene

C28H42O — CID 152570530

IUPAC(2-decoxy-1-phenylhexyl)benzene
SMILESCCCCCCCCCCOC(CCCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O/c1-3-5-7-8-9-10-11-18-24-29-27(23-6-4-2)28(25-19-14-12-15-20-25)26-21-16-13-17-22-26/h12-17,19-22,27-28H,3-11,18,23-24H2,1-2H3
InChIKeyYRJPSTVJMXKWCV-UHFFFAOYSA-N
MW394.64 g/mol
LogP8.53
Rot. Bonds16

About (2-decoxy-1-phenylhexyl)benzene

(2-decoxy-1-phenylhexyl)benzene (PubChem CID 152570530) has the molecular formula C28H42O and a molecular weight of 394.64 g/mol. Its IUPAC name is (2-decoxy-1-phenylhexyl)benzene.

Molecular Properties

Compound Name(2-decoxy-1-phenylhexyl)benzene
PubChem CID152570530
Molecular FormulaC28H42O
Molecular Weight394.64 g/mol
Exact Mass394.32
IUPAC Name(2-decoxy-1-phenylhexyl)benzene
SMILESCCCCCCCCCCOC(CCCC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H42O/c1-3-5-7-8-9-10-11-18-24-29-27(23-6-4-2)28(25-19-14-12-15-20-25)26-21-16-13-17-22-26/h12-17,19-22,27-28H,3-11,18,23-24H2,1-2H3
InChIKeyYRJPSTVJMXKWCV-UHFFFAOYSA-N
XLogP8.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 58.53
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-dodecoxyhexylbenzene
CID 174774790
didecoxymethylbenzene
CID 150039155
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
1-pentoxybutylbenzene
CID 173061669
nonoxy(phenyl)methanol
CID 70405769
octadecoxy(phenyl)methanol
CID 141167921
1-pentoxypropylbenzene
CID 57033372
[chloro(pentoxy)methyl]benzene
CID 141305175
1-pentoxyethylbenzene;hydrate
CID 174634303
1-tridecoxyprop-2-enylbenzene
CID 139672746
1-nonadecoxyprop-2-enylbenzene
CID 139672742
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294

Frequently Asked Questions

What is the IUPAC name of (2-decoxy-1-phenylhexyl)benzene?
The IUPAC name of (2-decoxy-1-phenylhexyl)benzene (CID 152570530) is (2-decoxy-1-phenylhexyl)benzene.
What is the SMILES notation for (2-decoxy-1-phenylhexyl)benzene?
The canonical SMILES for (2-decoxy-1-phenylhexyl)benzene is CCCCCCCCCCOC(CCCC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-decoxy-1-phenylhexyl)benzene?
The InChIKey is YRJPSTVJMXKWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42O/c1-3-5-7-8-9-10-11-18-24-29-27(23-6-4-2)28(25-19-14-12-15-20-25)26-21-16-13-17-22-26/h12-17,19-22,27-28H,3-11,18,23-24H2,1-2H3.
What are the key properties of (2-decoxy-1-phenylhexyl)benzene?
(2-decoxy-1-phenylhexyl)benzene has a molecular weight of 394.64 g/mol, XLogP of 8.53, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decoxy-1-phenylhexyl)benzene is sourced from PubChem (CID 152570530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).