4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol

C10H17ClO — CID 70505001

IUPAC4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol
SMILESCCC(C)(Cl)C1=CCC(O)CC1
InChIInChI=1S/C10H17ClO/c1-3-10(2,11)8-4-6-9(12)7-5-8/h4,9,12H,3,5-7H2,1-2H3
InChIKeyCJJMQTHZABXCCN-UHFFFAOYSA-N
MW188.70 g/mol
LogP2.87
Rot. Bonds2

About 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol

4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol (PubChem CID 70505001) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol
PubChem CID70505001
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol
SMILESCCC(C)(Cl)C1=CCC(O)CC1
InChIInChI=1S/C10H17ClO/c1-3-10(2,11)8-4-6-9(12)7-5-8/h4,9,12H,3,5-7H2,1-2H3
InChIKeyCJJMQTHZABXCCN-UHFFFAOYSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 52.87
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol?
The IUPAC name of 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol (CID 70505001) is 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol is CCC(C)(Cl)C1=CCC(O)CC1.
What is the InChIKey of 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol?
The InChIKey is CJJMQTHZABXCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-3-10(2,11)8-4-6-9(12)7-5-8/h4,9,12H,3,5-7H2,1-2H3.
What are the key properties of 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol?
4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol has a molecular weight of 188.70 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorobutan-2-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 70505001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).