2-(3-methyl-5-phenylpentyl)-1,3-dioxolane

C15H22O2 — CID 102458145

IUPAC2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
SMILESCC(CCc1ccccc1)CCC1OCCO1
InChIInChI=1S/C15H22O2/c1-13(8-10-15-16-11-12-17-15)7-9-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyVQMGWMONGXAFDW-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.41
Rot. Bonds6

About 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane

2-(3-methyl-5-phenylpentyl)-1,3-dioxolane (PubChem CID 102458145) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
PubChem CID102458145
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(3-methyl-5-phenylpentyl)-1,3-dioxolane
SMILESCC(CCc1ccccc1)CCC1OCCO1
InChIInChI=1S/C15H22O2/c1-13(8-10-15-16-11-12-17-15)7-9-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3
InChIKeyVQMGWMONGXAFDW-UHFFFAOYSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822227
4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol
CID 14537364
1-(1,3-dioxolan-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 103546421
2-(2-phenylethyl)oxetane
CID 13354102
1-(1,3-dioxolan-2-yl)-7-phenylheptan-3-one
CID 163679114
(2S)-N-[(1S)-1-(1,3-dioxolan-2-yl)-3-phenylpropyl]-2-hydroxy-3-methylbutanamide
CID 68521140
CID 173414157
CID 173414157
[(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane
CID 138972612
2-[(E)-3-methyl-5-phenylpent-3-enyl]-1,3-dioxane
CID 102591373
acetylene;hydrogen;(2-methyl-4-phenylbutyl)benzene
CID 143824373
(2S)-N,2-dimethyl-4-phenylbutan-1-amine
CID 134172295
5-(4-benzylphenyl)-3-methylpentan-1-amine
CID 65305469

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane?
The IUPAC name of 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane (CID 102458145) is 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane is CC(CCc1ccccc1)CCC1OCCO1.
What is the InChIKey of 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane?
The InChIKey is VQMGWMONGXAFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-13(8-10-15-16-11-12-17-15)7-9-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3.
What are the key properties of 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane?
2-(3-methyl-5-phenylpentyl)-1,3-dioxolane has a molecular weight of 234.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenylpentyl)-1,3-dioxolane is sourced from PubChem (CID 102458145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).