3-chloro-1-cyclohexylbut-3-en-1-ol

C10H17ClO — CID 11074176

IUPAC3-chloro-1-cyclohexylbut-3-en-1-ol
SMILESC=C(Cl)CC(O)C1CCCCC1
InChIInChI=1S/C10H17ClO/c1-8(11)7-10(12)9-5-3-2-4-6-9/h9-10,12H,1-7H2
InChIKeyUFPWHGJBBXQDMX-UHFFFAOYSA-N
MW188.70 g/mol
LogP3.07
Rot. Bonds3

About 3-chloro-1-cyclohexylbut-3-en-1-ol

3-chloro-1-cyclohexylbut-3-en-1-ol (PubChem CID 11074176) has the molecular formula C10H17ClO and a molecular weight of 188.70 g/mol. Its IUPAC name is 3-chloro-1-cyclohexylbut-3-en-1-ol.

Molecular Properties

Compound Name3-chloro-1-cyclohexylbut-3-en-1-ol
PubChem CID11074176
Molecular FormulaC10H17ClO
Molecular Weight188.70 g/mol
Exact Mass188.10
IUPAC Name3-chloro-1-cyclohexylbut-3-en-1-ol
SMILESC=C(Cl)CC(O)C1CCCCC1
InChIInChI=1S/C10H17ClO/c1-8(11)7-10(12)9-5-3-2-4-6-9/h9-10,12H,1-7H2
InChIKeyUFPWHGJBBXQDMX-UHFFFAOYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-cyclohexylbut-3-en-1-ol?
The IUPAC name of 3-chloro-1-cyclohexylbut-3-en-1-ol (CID 11074176) is 3-chloro-1-cyclohexylbut-3-en-1-ol.
What is the SMILES notation for 3-chloro-1-cyclohexylbut-3-en-1-ol?
The canonical SMILES for 3-chloro-1-cyclohexylbut-3-en-1-ol is C=C(Cl)CC(O)C1CCCCC1.
What is the InChIKey of 3-chloro-1-cyclohexylbut-3-en-1-ol?
The InChIKey is UFPWHGJBBXQDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClO/c1-8(11)7-10(12)9-5-3-2-4-6-9/h9-10,12H,1-7H2.
What are the key properties of 3-chloro-1-cyclohexylbut-3-en-1-ol?
3-chloro-1-cyclohexylbut-3-en-1-ol has a molecular weight of 188.70 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-cyclohexylbut-3-en-1-ol is sourced from PubChem (CID 11074176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).