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

C14H26O2 — CID 57477011

IUPAC4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(C2CCOC2)CC1
InChIInChI=1S/C14H26O2/c1-13(2,3)11-4-7-14(15,8-5-11)12-6-9-16-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyHPDUINKEPFYKOX-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.99
Rot. Bonds1

About 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol

4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol (PubChem CID 57477011) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol
PubChem CID57477011
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(C2CCOC2)CC1
InChIInChI=1S/C14H26O2/c1-13(2,3)11-4-7-14(15,8-5-11)12-6-9-16-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyHPDUINKEPFYKOX-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 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol (CID 57477011) is 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)(C2CCOC2)CC1.
What is the InChIKey of 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol?
The InChIKey is HPDUINKEPFYKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2,3)11-4-7-14(15,8-5-11)12-6-9-16-10-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol?
4-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 4-tert-butyl-1-(oxolan-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 57477011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).