[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol

C6H11ClO3 — CID 71445983

IUPAC[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(CCl)OC[C@H](CO)O1
InChIInChI=1S/C6H11ClO3/c1-6(4-7)9-3-5(2-8)10-6/h5,8H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyLOMFXRJCLQQSJH-ZBHICJROSA-N
MW166.60 g/mol
LogP0.35
Rot. Bonds2

About [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol

[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 71445983) has the molecular formula C6H11ClO3 and a molecular weight of 166.60 g/mol. Its IUPAC name is [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID71445983
Molecular FormulaC6H11ClO3
Molecular Weight166.60 g/mol
Exact Mass166.04
IUPAC Name[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(CCl)OC[C@H](CO)O1
InChIInChI=1S/C6H11ClO3/c1-6(4-7)9-3-5(2-8)10-6/h5,8H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyLOMFXRJCLQQSJH-ZBHICJROSA-N
XLogP0.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.60
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
CID 131089318
(2-hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
CID 58883730
(2S,4S)-4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
CID 932583
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634
[2-methyl-2-(piperidin-3-ylmethyl)-1,3-dioxolan-4-yl]methanol
CID 117169312
2,4-diethyl-2-methyl-1,3-dioxolane
CID 59435311
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 99492998
[(4S,6R)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 10986806
(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol
CID 22967026
(2-methyl-2-pentan-2-yl-1,3-dioxolan-4-yl)methanol
CID 71439187

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 71445983) is [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol is CC1(CCl)OC[C@H](CO)O1.
What is the InChIKey of [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is LOMFXRJCLQQSJH-ZBHICJROSA-N. The full InChI is InChI=1S/C6H11ClO3/c1-6(4-7)9-3-5(2-8)10-6/h5,8H,2-4H2,1H3/t5-,6?/m0/s1.
What are the key properties of [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 166.60 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 71445983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).