4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol

C15H28O2 — CID 63565482

IUPAC4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(C2CCOC2)CC1
InChIInChI=1S/C15H28O2/c1-4-14(2,3)12-5-8-15(16,9-6-12)13-7-10-17-11-13/h12-13,16H,4-11H2,1-3H3
InChIKeyZWIWTRIIVDOOQQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.38
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol

4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol (PubChem CID 63565482) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol
PubChem CID63565482
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(C2CCOC2)CC1
InChIInChI=1S/C15H28O2/c1-4-14(2,3)12-5-8-15(16,9-6-12)13-7-10-17-11-13/h12-13,16H,4-11H2,1-3H3
InChIKeyZWIWTRIIVDOOQQ-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol (CID 63565482) is 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(C2CCOC2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol?
The InChIKey is ZWIWTRIIVDOOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-14(2,3)12-5-8-15(16,9-6-12)13-7-10-17-11-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol?
4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-1-(oxolan-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 63565482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).