3-tert-butyl-3-ethylcyclohexan-1-ol

C12H24O — CID 89045709

IUPAC3-tert-butyl-3-ethylcyclohexan-1-ol
SMILESCCC1(C(C)(C)C)CCCC(O)C1
InChIInChI=1S/C12H24O/c1-5-12(11(2,3)4)8-6-7-10(13)9-12/h10,13H,5-9H2,1-4H3
InChIKeyLVDCMOQGUUKNKD-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds1

About 3-tert-butyl-3-ethylcyclohexan-1-ol

3-tert-butyl-3-ethylcyclohexan-1-ol (PubChem CID 89045709) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-tert-butyl-3-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-tert-butyl-3-ethylcyclohexan-1-ol
PubChem CID89045709
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-tert-butyl-3-ethylcyclohexan-1-ol
SMILESCCC1(C(C)(C)C)CCCC(O)C1
InChIInChI=1S/C12H24O/c1-5-12(11(2,3)4)8-6-7-10(13)9-12/h10,13H,5-9H2,1-4H3
InChIKeyLVDCMOQGUUKNKD-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-ethylcyclohexan-1-ol?
The IUPAC name of 3-tert-butyl-3-ethylcyclohexan-1-ol (CID 89045709) is 3-tert-butyl-3-ethylcyclohexan-1-ol.
What is the SMILES notation for 3-tert-butyl-3-ethylcyclohexan-1-ol?
The canonical SMILES for 3-tert-butyl-3-ethylcyclohexan-1-ol is CCC1(C(C)(C)C)CCCC(O)C1.
What is the InChIKey of 3-tert-butyl-3-ethylcyclohexan-1-ol?
The InChIKey is LVDCMOQGUUKNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-5-12(11(2,3)4)8-6-7-10(13)9-12/h10,13H,5-9H2,1-4H3.
What are the key properties of 3-tert-butyl-3-ethylcyclohexan-1-ol?
3-tert-butyl-3-ethylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-ethylcyclohexan-1-ol is sourced from PubChem (CID 89045709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).