2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol

C14H26O2 — CID 57477012

IUPAC2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)C1CCOC1
InChIInChI=1S/C14H26O2/c1-13(2,3)12-6-4-5-8-14(12,15)11-7-9-16-10-11/h11-12,15H,4-10H2,1-3H3
InChIKeyUMSMDLAIRWGNQE-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.99
Rot. Bonds1

About 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol

2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol (PubChem CID 57477012) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol
PubChem CID57477012
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)C1CCOC1
InChIInChI=1S/C14H26O2/c1-13(2,3)12-6-4-5-8-14(12,15)11-7-9-16-10-11/h11-12,15H,4-10H2,1-3H3
InChIKeyUMSMDLAIRWGNQE-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol (CID 57477012) is 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol is CC(C)(C)C1CCCCC1(O)C1CCOC1.
What is the InChIKey of 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol?
The InChIKey is UMSMDLAIRWGNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2,3)12-6-4-5-8-14(12,15)11-7-9-16-10-11/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol?
2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 57477012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).