(5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane

C19H30O2 — CID 39354685

IUPAC(5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane
SMILESCCCCCC1(CCCCC)OCO[C@@H]1c1ccccc1
InChIInChI=1S/C19H30O2/c1-3-5-10-14-19(15-11-6-4-2)18(20-16-21-19)17-12-8-7-9-13-17/h7-9,12-13,18H,3-6,10-11,14-16H2,1-2H3/t18-/m1/s1
InChIKeyLLPPXXCOLMSDPS-GOSISDBHSA-N
MW290.45 g/mol
LogP5.63
Rot. Bonds9

About (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane

(5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane (PubChem CID 39354685) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name(5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane
PubChem CID39354685
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane
SMILESCCCCCC1(CCCCC)OCO[C@@H]1c1ccccc1
InChIInChI=1S/C19H30O2/c1-3-5-10-14-19(15-11-6-4-2)18(20-16-21-19)17-12-8-7-9-13-17/h7-9,12-13,18H,3-6,10-11,14-16H2,1-2H3/t18-/m1/s1
InChIKeyLLPPXXCOLMSDPS-GOSISDBHSA-N
XLogP5.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane?
The IUPAC name of (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane (CID 39354685) is (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane.
What is the SMILES notation for (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane?
The canonical SMILES for (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane is CCCCCC1(CCCCC)OCO[C@@H]1c1ccccc1.
What is the InChIKey of (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane?
The InChIKey is LLPPXXCOLMSDPS-GOSISDBHSA-N. The full InChI is InChI=1S/C19H30O2/c1-3-5-10-14-19(15-11-6-4-2)18(20-16-21-19)17-12-8-7-9-13-17/h7-9,12-13,18H,3-6,10-11,14-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane?
(5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane has a molecular weight of 290.45 g/mol, XLogP of 5.63, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,4-dipentyl-5-phenyl-1,3-dioxolane is sourced from PubChem (CID 39354685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).