(4S)-4-ethenyl-4-undecyl-1,3-dioxolane

C16H30O2 — CID 135042850

IUPAC(4S)-4-ethenyl-4-undecyl-1,3-dioxolane
SMILESC=C[C@@]1(CCCCCCCCCCC)COCO1
InChIInChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-16(4-2)14-17-15-18-16/h4H,2-3,5-15H2,1H3/t16-/m1/s1
InChIKeyAOIINCHICGBGCN-MRXNPFEDSA-N
MW254.41 g/mol
LogP4.84
Rot. Bonds11

About (4S)-4-ethenyl-4-undecyl-1,3-dioxolane

(4S)-4-ethenyl-4-undecyl-1,3-dioxolane (PubChem CID 135042850) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (4S)-4-ethenyl-4-undecyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-ethenyl-4-undecyl-1,3-dioxolane
PubChem CID135042850
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(4S)-4-ethenyl-4-undecyl-1,3-dioxolane
SMILESC=C[C@@]1(CCCCCCCCCCC)COCO1
InChIInChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-16(4-2)14-17-15-18-16/h4H,2-3,5-15H2,1H3/t16-/m1/s1
InChIKeyAOIINCHICGBGCN-MRXNPFEDSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.84
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'}

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Related Compounds

4-Decyl-4-ethenyl-1,3-dioxolan-2-one
CID 154719701
(4S)-2,2-dimethyl-4-[(4R)-4-(2-methylprop-2-enoxy)tridec-1-en-4-yl]-1,3-dioxolane
CID 11314170
(4S)-2,2-dimethyl-4-[(4R)-4-prop-2-enoxypentadec-1-en-4-yl]-1,3-dioxolane
CID 11394482
3-Ethenyl-3,4-dimethoxydodec-1-ene
CID 150796789
4-Ethenyl-4-propyl-1,3-dioxolane
CID 153960829
8-(2-Ethoxy-2-methylbut-3-enyl)-1,4-dioxaspiro[4.5]decane
CID 157942810
(4R)-2,2-dimethyl-4-[(4S)-4-(2-methylprop-2-enoxy)tridec-1-en-4-yl]-1,3-dioxolane
CID 11473635
4-Hex-1-en-2-yl-2,2-dimethyl-4-pentyl-1,3-dioxolane
CID 12022129
4-Ethenyl-2,2,4-trimethyl-5-(3,7,11-trimethyldodecyl)-1,3-dioxolane
CID 71327490
5-Ethenyl-4,4-dipentyl-1,3-dioxolan-2-one
CID 101357390

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethenyl-4-undecyl-1,3-dioxolane?
The IUPAC name of (4S)-4-ethenyl-4-undecyl-1,3-dioxolane (CID 135042850) is (4S)-4-ethenyl-4-undecyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-ethenyl-4-undecyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-ethenyl-4-undecyl-1,3-dioxolane is C=C[C@@]1(CCCCCCCCCCC)COCO1.
What is the InChIKey of (4S)-4-ethenyl-4-undecyl-1,3-dioxolane?
The InChIKey is AOIINCHICGBGCN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-6-7-8-9-10-11-12-13-16(4-2)14-17-15-18-16/h4H,2-3,5-15H2,1H3/t16-/m1/s1.
What are the key properties of (4S)-4-ethenyl-4-undecyl-1,3-dioxolane?
(4S)-4-ethenyl-4-undecyl-1,3-dioxolane has a molecular weight of 254.41 g/mol, XLogP of 4.84, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethenyl-4-undecyl-1,3-dioxolane is sourced from PubChem (CID 135042850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).