methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate

C17H24O5 — CID 67666090

IUPACmethyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)C1(C(C)(CCCO)c2ccccc2)COC(C)O1
InChIInChI=1S/C17H24O5/c1-13-21-12-17(22-13,15(19)20-3)16(2,10-7-11-18)14-8-5-4-6-9-14/h4-6,8-9,13,18H,7,10-12H2,1-3H3
InChIKeyZZXNVQSSIFZQAW-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.02
Rot. Bonds6

About methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate

methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate (PubChem CID 67666090) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate
PubChem CID67666090
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Namemethyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate
SMILESCOC(=O)C1(C(C)(CCCO)c2ccccc2)COC(C)O1
InChIInChI=1S/C17H24O5/c1-13-21-12-17(22-13,15(19)20-3)16(2,10-7-11-18)14-8-5-4-6-9-14/h4-6,8-9,13,18H,7,10-12H2,1-3H3
InChIKeyZZXNVQSSIFZQAW-UHFFFAOYSA-N
XLogP2.02
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate (CID 67666090) is methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate is COC(=O)C1(C(C)(CCCO)c2ccccc2)COC(C)O1.
What is the InChIKey of methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate?
The InChIKey is ZZXNVQSSIFZQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-13-21-12-17(22-13,15(19)20-3)16(2,10-7-11-18)14-8-5-4-6-9-14/h4-6,8-9,13,18H,7,10-12H2,1-3H3.
What are the key properties of methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate?
methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate has a molecular weight of 308.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-hydroxy-2-phenylpentan-2-yl)-2-methyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 67666090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).