[5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene

C31H48O4 — CID 173364305

IUPAC[5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene
SMILESCCCCOCCOCCC(CCOCCOCCCC)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H48O4/c1-4-6-20-32-24-26-34-22-18-30(19-23-35-27-25-33-21-7-5-2)31(3,28-14-10-8-11-15-28)29-16-12-9-13-17-29/h8-17,30H,4-7,18-27H2,1-3H3
InChIKeyYDKDVLFFAPNWNS-UHFFFAOYSA-N
MW484.72 g/mol
LogP7.06
Rot. Bonds21

About [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene

[5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene (PubChem CID 173364305) has the molecular formula C31H48O4 and a molecular weight of 484.72 g/mol. Its IUPAC name is [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene.

Molecular Properties

Compound Name[5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene
PubChem CID173364305
Molecular FormulaC31H48O4
Molecular Weight484.72 g/mol
Exact Mass484.36
IUPAC Name[5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene
SMILESCCCCOCCOCCC(CCOCCOCCCC)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H48O4/c1-4-6-20-32-24-26-34-22-18-30(19-23-35-27-25-33-21-7-5-2)31(3,28-14-10-8-11-15-28)29-16-12-9-13-17-29/h8-17,30H,4-7,18-27H2,1-3H3
InChIKeyYDKDVLFFAPNWNS-UHFFFAOYSA-N
XLogP7.06
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.72
LogP ≤ 57.06
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

(2-phenyl-3-propylhexan-2-yl)benzene
CID 139749619
3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine
CID 175956431
(3-methyl-2-phenyloctan-2-yl)benzene
CID 174435866
(5-heptoxy-2-methylpentan-2-yl)benzene
CID 143912410
1-butoxybutane;3,3,3-trichloro-2-methyl-1-phenylpropane-1,1-diol
CID 174671316
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
(2R)-1-butoxy-N-methyl-2-phenyl-N-trimethylsilylpropan-2-amine
CID 54343408
4-butoxy-2-phenylbutan-1-amine
CID 65429103
10-butoxydecylbenzene
CID 151496754
4-butoxy-1-phenylbutan-1-amine
CID 61483795
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817

Frequently Asked Questions

What is the IUPAC name of [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene?
The IUPAC name of [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene (CID 173364305) is [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene.
What is the SMILES notation for [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene?
The canonical SMILES for [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene is CCCCOCCOCCC(CCOCCOCCCC)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene?
The InChIKey is YDKDVLFFAPNWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H48O4/c1-4-6-20-32-24-26-34-22-18-30(19-23-35-27-25-33-21-7-5-2)31(3,28-14-10-8-11-15-28)29-16-12-9-13-17-29/h8-17,30H,4-7,18-27H2,1-3H3.
What are the key properties of [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene?
[5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene has a molecular weight of 484.72 g/mol, XLogP of 7.06, 21 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene is sourced from PubChem (CID 173364305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).