(4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane

C11H17ClO2 — CID 10998454

IUPAC(4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane
SMILESC=C[C@@H]1OC(C)(CCCCl)O[C@@H]1C=C
InChIInChI=1S/C11H17ClO2/c1-4-9-10(5-2)14-11(3,13-9)7-6-8-12/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10+,11?
InChIKeyNFYRLORIDMAUHW-ZACCUICWSA-N
MW216.71 g/mol
LogP2.88
Rot. Bonds5

About (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane

(4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane (PubChem CID 10998454) has the molecular formula C11H17ClO2 and a molecular weight of 216.71 g/mol. Its IUPAC name is (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane
PubChem CID10998454
Molecular FormulaC11H17ClO2
Molecular Weight216.71 g/mol
Exact Mass216.09
IUPAC Name(4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane
SMILESC=C[C@@H]1OC(C)(CCCCl)O[C@@H]1C=C
InChIInChI=1S/C11H17ClO2/c1-4-9-10(5-2)14-11(3,13-9)7-6-8-12/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10+,11?
InChIKeyNFYRLORIDMAUHW-ZACCUICWSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane?
The IUPAC name of (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane (CID 10998454) is (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane is C=C[C@@H]1OC(C)(CCCCl)O[C@@H]1C=C.
What is the InChIKey of (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane?
The InChIKey is NFYRLORIDMAUHW-ZACCUICWSA-N. The full InChI is InChI=1S/C11H17ClO2/c1-4-9-10(5-2)14-11(3,13-9)7-6-8-12/h4-5,9-10H,1-2,6-8H2,3H3/t9-,10+,11?.
What are the key properties of (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane?
(4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane has a molecular weight of 216.71 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-(3-chloropropyl)-4,5-bis(ethenyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10998454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).