(4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane

C16H22O2 — CID 11172648

IUPAC(4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C/CCCc2ccccc2)O1
InChIInChI=1S/C16H22O2/c1-16(2)17-13-15(18-16)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12,15H,4,7,11,13H2,1-2H3/b12-8+/t15-/m0/s1
InChIKeyMSGAOKMKOOHWCS-JQVXPOPVSA-N
MW246.35 g/mol
LogP3.72
Rot. Bonds5

About (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane (PubChem CID 11172648) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane
PubChem CID11172648
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C/CCCc2ccccc2)O1
InChIInChI=1S/C16H22O2/c1-16(2)17-13-15(18-16)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12,15H,4,7,11,13H2,1-2H3/b12-8+/t15-/m0/s1
InChIKeyMSGAOKMKOOHWCS-JQVXPOPVSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2,2-dimethyl-4-[(1Z)-octa-1,7-dienyl]-1,3-dioxolane
CID 10536443
(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane
CID 21178132
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanimine oxide
CID 42642786
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hex-5-enyl acetate
CID 71174193
benzyl (Z)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 10015565
2-[(E)-5-phenylpent-1-enyl]oxane
CID 10242966
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
4-(3-bromoprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72828688
[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-trimethylsilane
CID 11275935
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
(1S,5R)-6-(5-phenylpent-1-enyl)bicyclo[3.1.0]hexan-3-one
CID 54289120
methyl 2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-phenylpentanoate
CID 10892135

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane (CID 11172648) is (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane is CC1(C)OC[C@H](/C=C/CCCc2ccccc2)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane?
The InChIKey is MSGAOKMKOOHWCS-JQVXPOPVSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(2)17-13-15(18-16)12-8-4-7-11-14-9-5-3-6-10-14/h3,5-6,8-10,12,15H,4,7,11,13H2,1-2H3/b12-8+/t15-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane has a molecular weight of 246.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(E)-5-phenylpent-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 11172648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).