[(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol

C8H13ClO2 — CID 88976634

IUPAC[(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol
SMILESC[C@H]1CC[C@@](/C=C/Cl)(CO)O1
InChIInChI=1S/C8H13ClO2/c1-7-2-3-8(6-10,11-7)4-5-9/h4-5,7,10H,2-3,6H2,1H3/b5-4+/t7-,8+/m0/s1
InChIKeyHLBIWDPVPRHHNX-ODAVYXMRSA-N
MW176.64 g/mol
LogP1.67
Rot. Bonds2

About [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol

[(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol (PubChem CID 88976634) has the molecular formula C8H13ClO2 and a molecular weight of 176.64 g/mol. Its IUPAC name is [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol
PubChem CID88976634
Molecular FormulaC8H13ClO2
Molecular Weight176.64 g/mol
Exact Mass176.06
IUPAC Name[(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol
SMILESC[C@H]1CC[C@@](/C=C/Cl)(CO)O1
InChIInChI=1S/C8H13ClO2/c1-7-2-3-8(6-10,11-7)4-5-9/h4-5,7,10H,2-3,6H2,1H3/b5-4+/t7-,8+/m0/s1
InChIKeyHLBIWDPVPRHHNX-ODAVYXMRSA-N
XLogP1.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.64
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol
CID 122537173
(2R,3R,4R,5S)-2-ethenyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 145600772
[5-(2-Chloroethenyl)oxolan-2-yl]methanol
CID 20588469
[5-[(E)-2-chloroethenyl]oxolan-2-yl]methanol
CID 22986713
CID 57693434
CID 57693434
[(2S,5S)-5-[(E)-2-chloroethenyl]oxolan-2-yl]methanol
CID 59048746
[(2S,5S)-5-(2-chloroethenyl)oxolan-2-yl]methanol
CID 59064031
[(2S)-5-[(E)-2-chloroethenyl]-2-methyloxolan-2-yl]methanol
CID 59972017
[(2R,5S)-2-(2-chloroethenyl)-5-methyloxolan-2-yl]methanol
CID 90943114
[(2S)-5-(2-chloroethenyl)-2-methyloxolan-2-yl]methanol
CID 91404537
(5-Ethenyl-5-methyloxolan-2-yl)methanol
CID 141342247
4-Chloro-2-ethenyl-2-(hydroxymethyl)oxolan-3-ol
CID 141475635

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol?
The IUPAC name of [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol (CID 88976634) is [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol?
The canonical SMILES for [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol is C[C@H]1CC[C@@](/C=C/Cl)(CO)O1.
What is the InChIKey of [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol?
The InChIKey is HLBIWDPVPRHHNX-ODAVYXMRSA-N. The full InChI is InChI=1S/C8H13ClO2/c1-7-2-3-8(6-10,11-7)4-5-9/h4-5,7,10H,2-3,6H2,1H3/b5-4+/t7-,8+/m0/s1.
What are the key properties of [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol?
[(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol has a molecular weight of 176.64 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol is sourced from PubChem (CID 88976634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).