3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol

C11H17ClO — CID 10888939

IUPAC3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol
SMILESC=C(CCl)CC(O)C1CC=CCC1
InChIInChI=1S/C11H17ClO/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-3,10-11,13H,1,4-8H2
InChIKeyJZRURIBRXBTGGV-UHFFFAOYSA-N
MW200.71 g/mol
LogP2.89
Rot. Bonds4

About 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol

3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol (PubChem CID 10888939) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol.

Molecular Properties

Compound Name3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol
PubChem CID10888939
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Name3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol
SMILESC=C(CCl)CC(O)C1CC=CCC1
InChIInChI=1S/C11H17ClO/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-3,10-11,13H,1,4-8H2
InChIKeyJZRURIBRXBTGGV-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.89
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

(1S,2S)-2-chloro-1-cyclohexylbut-3-en-1-ol
CID 102533329
4-Chloro-5-(cyclohexen-1-yl)-3-fluorohexan-2-ol
CID 153333915
3-Chloro-5-(cyclohexen-1-yl)-4-fluorohexan-2-ol
CID 153333928
(1R,2R)-2-chloro-1-cyclohexylbut-3-en-1-ol
CID 10877911
3-(Chloromethyl)-1-cyclohexylbut-3-en-1-ol
CID 11030900
(1R,2S)-2-(2-chloroethyl)-1-cyclohexylbut-3-en-1-ol
CID 11138532
(2R)-1-chloro-4-[(3S,6R)-6-methyl-3-propan-2-ylcyclohexen-1-yl]butan-2-ol
CID 44222067
(1S,5S)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol
CID 44604141
1-Hydroxy-2-(trichloromethyl)cyclododecadi-ene-5,9
CID 129773489
(1R,5R)-5-(3-chloroprop-1-en-2-yl)-2-methylcyclohex-2-en-1-ol
CID 134860682
(3S,4R)-3-(2-chloroethyl)hept-1-en-4-ol
CID 134883041
(1R,2S)-5-chloro-1-cyclohexyl-2-ethenylpentan-1-ol
CID 134895836

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol?
The IUPAC name of 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol (CID 10888939) is 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol.
What is the SMILES notation for 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol?
The canonical SMILES for 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol is C=C(CCl)CC(O)C1CC=CCC1.
What is the InChIKey of 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol?
The InChIKey is JZRURIBRXBTGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-3,10-11,13H,1,4-8H2.
What are the key properties of 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol?
3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol has a molecular weight of 200.71 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-cyclohex-3-en-1-ylbut-3-en-1-ol is sourced from PubChem (CID 10888939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).