[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol

C8H13ClO — CID 55303042

IUPAC[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol
SMILESOC[C@H]1CC=CC[C@H]1CCl
InChIInChI=1S/C8H13ClO/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-8,10H,3-6H2/t7-,8+/m0/s1
InChIKeyUHWCEZJUXSQFSB-JGVFFNPUSA-N
MW160.64 g/mol
LogP1.80
Rot. Bonds2

About [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol

[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol (PubChem CID 55303042) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol
PubChem CID55303042
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol
SMILESOC[C@H]1CC=CC[C@H]1CCl
InChIInChI=1S/C8H13ClO/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-8,10H,3-6H2/t7-,8+/m0/s1
InChIKeyUHWCEZJUXSQFSB-JGVFFNPUSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[6-(pyrrolidin-1-ylmethyl)cyclohex-3-en-1-yl]methanol
CID 130147695
[4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
CID 18326902
(5R,6R)-5,6-bis(hydroxymethyl)cyclohex-2-en-1-ol
CID 10583053
6-(2-hydroxyethyl)cyclohex-3-en-1-ol
CID 130142627
[(2S)-2-(hydroxymethyl)cyclopropyl]methanol
CID 67842260
[(3aR,4S,7aR)-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]methanol
CID 129405394
[3-fluoro-4-(hydroxymethyl)-1,2,3,4,4a,5,8,8a-octahydronaphthalen-1-yl]methanol
CID 23215678
(1R,6R)-6-(aminomethyl)cyclohex-3-en-1-ol
CID 101064622
[(3aR,4R,7aR)-2,3,3a,4,5,7a-hexahydro-1H-isoindol-4-yl]methanol
CID 54133952
[(1S,6R)-6-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
CID 67908983
5-(hydroxymethyl)cyclohexane-1,2,4-triol
CID 148585059
[6-(1-dimethylsilyloxy-2,2-dimethylpropyl)cyclohex-3-en-1-yl]methanol
CID 123796054

Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol?
The IUPAC name of [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol (CID 55303042) is [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol is OC[C@H]1CC=CC[C@H]1CCl.
What is the InChIKey of [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol?
The InChIKey is UHWCEZJUXSQFSB-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H13ClO/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-8,10H,3-6H2/t7-,8+/m0/s1.
What are the key properties of [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol?
[(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol has a molecular weight of 160.64 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-(chloromethyl)cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 55303042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).