2-(2-chloro-2-polanylethyl)oxirane

C4H7ClOPo — CID 175248511

IUPAC2-(2-chloro-2-polanylethyl)oxirane
SMILESClC([PoH])CC1CO1
InChIInChI=1S/C4H6ClO.Po.H/c5-2-1-4-3-6-4;;/h2,4H,1,3H2;;
InChIKeyLSXWDWQKEZXBKQ-UHFFFAOYSA-N
MW315.55 g/mol
LogP0.24
Rot. Bonds2

About 2-(2-chloro-2-polanylethyl)oxirane

2-(2-chloro-2-polanylethyl)oxirane (PubChem CID 175248511) has the molecular formula C4H7ClOPo and a molecular weight of 315.55 g/mol. Its IUPAC name is 2-(2-chloro-2-polanylethyl)oxirane.

Molecular Properties

Compound Name2-(2-chloro-2-polanylethyl)oxirane
PubChem CID175248511
Molecular FormulaC4H7ClOPo
Molecular Weight315.55 g/mol
Exact Mass315.00
IUPAC Name2-(2-chloro-2-polanylethyl)oxirane
SMILESClC([PoH])CC1CO1
InChIInChI=1S/C4H6ClO.Po.H/c5-2-1-4-3-6-4;;/h2,4H,1,3H2;;
InChIKeyLSXWDWQKEZXBKQ-UHFFFAOYSA-N
XLogP0.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.55
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloropropyl)oxirane
CID 22340851
2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 175008248
2-(oxiran-2-yl)ethane-1,1-diol
CID 156784168
2-(2-chloro-4-methylpent-3-enyl)oxirane
CID 174816443
1-chloro-3-(oxiran-2-yl)propan-2-ol
CID 24755102
2-[5-(oxiran-2-yl)-2-(oxiran-2-ylmethyl)pentyl]oxirane
CID 175565540
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
1-chloro-2-(oxiran-2-ylmethyl)tridecan-1-amine
CID 142782584
2-(2-methylbutyl)oxirane
CID 534610
2-(2-methylhexyl)oxirane
CID 91241308
2-methyl-3-(oxiran-2-yl)propanal
CID 91185266
2-(2,4-dimethylpentyl)oxirane
CID 14618591

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2-polanylethyl)oxirane?
The IUPAC name of 2-(2-chloro-2-polanylethyl)oxirane (CID 175248511) is 2-(2-chloro-2-polanylethyl)oxirane.
What is the SMILES notation for 2-(2-chloro-2-polanylethyl)oxirane?
The canonical SMILES for 2-(2-chloro-2-polanylethyl)oxirane is ClC([PoH])CC1CO1.
What is the InChIKey of 2-(2-chloro-2-polanylethyl)oxirane?
The InChIKey is LSXWDWQKEZXBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClO.Po.H/c5-2-1-4-3-6-4;;/h2,4H,1,3H2;;.
What are the key properties of 2-(2-chloro-2-polanylethyl)oxirane?
2-(2-chloro-2-polanylethyl)oxirane has a molecular weight of 315.55 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2-polanylethyl)oxirane is sourced from PubChem (CID 175248511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).