4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol

C12H21ClO — CID 15695896

IUPAC4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol
SMILESC=C(Cl)C1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H21ClO/c1-9(13)12(14)7-5-10(6-8-12)11(2,3)4/h10,14H,1,5-8H2,2-4H3
InChIKeyYYBWNENVWFODJT-UHFFFAOYSA-N
MW216.75 g/mol
LogP3.71
Rot. Bonds1

About 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol

4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol (PubChem CID 15695896) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol
PubChem CID15695896
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol
SMILESC=C(Cl)C1(O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H21ClO/c1-9(13)12(14)7-5-10(6-8-12)11(2,3)4/h10,14H,1,5-8H2,2-4H3
InChIKeyYYBWNENVWFODJT-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol (CID 15695896) is 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol is C=C(Cl)C1(O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol?
The InChIKey is YYBWNENVWFODJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c1-9(13)12(14)7-5-10(6-8-12)11(2,3)4/h10,14H,1,5-8H2,2-4H3.
What are the key properties of 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol?
4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol has a molecular weight of 216.75 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-chloroethenyl)cyclohexan-1-ol is sourced from PubChem (CID 15695896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).