[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene

C26H38O — CID 174996327

IUPAC[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
SMILESCC(C)(CCOCCC(C)(C)CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H38O/c1-25(2,17-15-23-11-7-5-8-12-23)19-21-27-22-20-26(3,4)18-16-24-13-9-6-10-14-24/h5-14H,15-22H2,1-4H3
InChIKeyFDUQIAWYYUUWJI-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.10
Rot. Bonds12

About [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene

[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene (PubChem CID 174996327) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene.

Molecular Properties

Compound Name[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
PubChem CID174996327
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene
SMILESCC(C)(CCOCCC(C)(C)CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H38O/c1-25(2,17-15-23-11-7-5-8-12-23)19-21-27-22-20-26(3,4)18-16-24-13-9-6-10-14-24/h5-14H,15-22H2,1-4H3
InChIKeyFDUQIAWYYUUWJI-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.10
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

2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
3,3-dimethyltetradecylbenzene
CID 141108755
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770
(5-bromo-3,3-dimethylhexyl)benzene
CID 64718338
(3,3-dichloro-5-phenylpentyl)benzene
CID 11033683
N,2,2-trimethyl-4-phenylmethoxybutan-1-amine;hydrochloride
CID 122240236
[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene
CID 70593938
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
3,3-bis(tert-butylperoxy)butylbenzene
CID 139605327
N-(2-ethoxyethyl)-2-methyl-4-phenylbutan-2-amine
CID 113231354
3,3-dimethyl-5-phenylpentanoic acid;ethane;propane
CID 142907500
2-(2-methoxyethoxy)ethylbenzene
CID 21135488

Frequently Asked Questions

What is the IUPAC name of [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene?
The IUPAC name of [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene (CID 174996327) is [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene.
What is the SMILES notation for [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene?
The canonical SMILES for [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene is CC(C)(CCOCCC(C)(C)CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene?
The InChIKey is FDUQIAWYYUUWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-25(2,17-15-23-11-7-5-8-12-23)19-21-27-22-20-26(3,4)18-16-24-13-9-6-10-14-24/h5-14H,15-22H2,1-4H3.
What are the key properties of [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene?
[5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene has a molecular weight of 366.59 g/mol, XLogP of 7.10, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-dimethyl-5-phenylpentoxy)-3,3-dimethylpentyl]benzene is sourced from PubChem (CID 174996327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).