1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene

C21H36O4 — CID 176559998

IUPAC1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene
SMILESCCCOCCOCCOCCCCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C21H36O4/c1-4-12-22-15-17-24-18-16-23-13-6-5-7-14-25-21-10-8-20(9-11-21)19(2)3/h8-11,19H,4-7,12-18H2,1-3H3
InChIKeyCSUYLYWXQDHILH-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.82
Rot. Bonds16

About 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene

1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene (PubChem CID 176559998) has the molecular formula C21H36O4 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene.

Molecular Properties

Compound Name1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene
PubChem CID176559998
Molecular FormulaC21H36O4
Molecular Weight352.52 g/mol
Exact Mass352.26
IUPAC Name1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene
SMILESCCCOCCOCCOCCCCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C21H36O4/c1-4-12-22-15-17-24-18-16-23-13-6-5-7-14-25-21-10-8-20(9-11-21)19(2)3/h8-11,19H,4-7,12-18H2,1-3H3
InChIKeyCSUYLYWXQDHILH-UHFFFAOYSA-N
XLogP4.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-propan-2-ylphenoxy)hexan-1-ol
CID 103801838
1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64766053
4-(2-heptoxyethoxy)aniline
CID 43366149
(1R)-1-[4-(2-propoxyethoxy)phenyl]propan-1-amine
CID 106450348
1-decoxy-4-[4-(5-decoxy-3-methylpentoxy)phenyl]benzene
CID 162476675
1-(5-decoxy-3-methylpentoxy)-4-[4-(5-decoxypentoxy)phenyl]benzene
CID 162476664
4-(2-pentoxyethoxy)aniline
CID 43274923
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
2-methyl-1-[2-(4-propan-2-ylphenoxy)ethoxy]propan-2-amine
CID 82354139
N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
CID 2276712

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene?
The IUPAC name of 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene (CID 176559998) is 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene.
What is the SMILES notation for 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene?
The canonical SMILES for 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene is CCCOCCOCCOCCCCCOc1ccc(C(C)C)cc1.
What is the InChIKey of 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene?
The InChIKey is CSUYLYWXQDHILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O4/c1-4-12-22-15-17-24-18-16-23-13-6-5-7-14-25-21-10-8-20(9-11-21)19(2)3/h8-11,19H,4-7,12-18H2,1-3H3.
What are the key properties of 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene?
1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene has a molecular weight of 352.52 g/mol, XLogP of 4.82, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene is sourced from PubChem (CID 176559998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).