(4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane

C17H22O2 — CID 139120137

IUPAC(4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane
SMILESCC1(C)OC[C@](c2ccccc2)([C@@H]2C=CCCC2)O1
InChIInChI=1S/C17H22O2/c1-16(2)18-13-17(19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-7,9-11,15H,4,8,12-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyMHPBOUDQDVPJTB-WBVHZDCISA-N
MW258.36 g/mol
LogP4.02
Rot. Bonds2

About (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane

(4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane (PubChem CID 139120137) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane
PubChem CID139120137
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane
SMILESCC1(C)OC[C@](c2ccccc2)([C@@H]2C=CCCC2)O1
InChIInChI=1S/C17H22O2/c1-16(2)18-13-17(19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-7,9-11,15H,4,8,12-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyMHPBOUDQDVPJTB-WBVHZDCISA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane (CID 139120137) is (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane is CC1(C)OC[C@](c2ccccc2)([C@@H]2C=CCCC2)O1.
What is the InChIKey of (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane?
The InChIKey is MHPBOUDQDVPJTB-WBVHZDCISA-N. The full InChI is InChI=1S/C17H22O2/c1-16(2)18-13-17(19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3,5-7,9-11,15H,4,8,12-13H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane?
(4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane has a molecular weight of 258.36 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1S)-cyclohex-2-en-1-yl]-2,2-dimethyl-4-phenyl-1,3-dioxolane is sourced from PubChem (CID 139120137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).