(4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane

C13H24O2 — CID 11020214

IUPAC(4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1CCCCCC
InChIInChI=1S/C13H24O2/c1-5-7-8-9-10-12-11(6-2)14-13(3,4)15-12/h6,11-12H,2,5,7-10H2,1,3-4H3/t11-,12-/m0/s1
InChIKeyUNNWCYKQFWLEPA-RYUDHWBXSA-N
MW212.33 g/mol
LogP3.66
Rot. Bonds6

About (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane

(4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 11020214) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane
PubChem CID11020214
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane
SMILESC=C[C@@H]1OC(C)(C)O[C@H]1CCCCCC
InChIInChI=1S/C13H24O2/c1-5-7-8-9-10-12-11(6-2)14-13(3,4)15-12/h6,11-12H,2,5,7-10H2,1,3-4H3/t11-,12-/m0/s1
InChIKeyUNNWCYKQFWLEPA-RYUDHWBXSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.66
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

(2S,6R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-ethenyloxane
CID 11579383
4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
Non-8-en-2-one ethylene ketal
CID 25186484
(z,z)-6,9-Heneicosadien-11-one ethylene ketal
CID 129866832
(4S)-4-[(E)-dec-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 101188588
(4S,5S)-4-ethenyl-5-pentyl-1,3-dioxolan-2-one
CID 10103862
(1S)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 11298584
(1R)-1-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-ol
CID 11513947
2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane
CID 13215973
3-(Methoxymethoxy)non-1-ene
CID 14172396
(2S)-7-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-ol
CID 25018184
2-(Deca-1,4-dien-1-YL)-2-decyl-1,3-dioxolane
CID 71422196

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane (CID 11020214) is (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane is C=C[C@@H]1OC(C)(C)O[C@H]1CCCCCC.
What is the InChIKey of (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is UNNWCYKQFWLEPA-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H24O2/c1-5-7-8-9-10-12-11(6-2)14-13(3,4)15-12/h6,11-12H,2,5,7-10H2,1,3-4H3/t11-,12-/m0/s1.
What are the key properties of (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane?
(4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11020214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).