5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol

C14H20O3 — CID 68649617

IUPAC5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol
SMILESCC(O)CCCC1(c2ccccc2)OCCO1
InChIInChI=1S/C14H20O3/c1-12(15)6-5-9-14(16-10-11-17-14)13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3
InChIKeyFRIKGQDTDJGAFG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.44
Rot. Bonds5

About 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol

5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol (PubChem CID 68649617) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol
PubChem CID68649617
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol
SMILESCC(O)CCCC1(c2ccccc2)OCCO1
InChIInChI=1S/C14H20O3/c1-12(15)6-5-9-14(16-10-11-17-14)13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3
InChIKeyFRIKGQDTDJGAFG-UHFFFAOYSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol?
The IUPAC name of 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol (CID 68649617) is 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol.
What is the SMILES notation for 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol?
The canonical SMILES for 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol is CC(O)CCCC1(c2ccccc2)OCCO1.
What is the InChIKey of 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol?
The InChIKey is FRIKGQDTDJGAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-12(15)6-5-9-14(16-10-11-17-14)13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3.
What are the key properties of 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol?
5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenyl-1,3-dioxolan-2-yl)pentan-2-ol is sourced from PubChem (CID 68649617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).