1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol

C13H26O2 — CID 139090021

IUPAC1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol
SMILESCCC1(OC)CCC(O)(C(C)(C)C)CC1
InChIInChI=1S/C13H26O2/c1-6-12(15-5)7-9-13(14,10-8-12)11(2,3)4/h14H,6-10H2,1-5H3
InChIKeyBEJUHEXMQGPBPQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.13
Rot. Bonds2

About 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol

1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol (PubChem CID 139090021) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol.

Molecular Properties

Compound Name1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol
PubChem CID139090021
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol
SMILESCCC1(OC)CCC(O)(C(C)(C)C)CC1
InChIInChI=1S/C13H26O2/c1-6-12(15-5)7-9-13(14,10-8-12)11(2,3)4/h14H,6-10H2,1-5H3
InChIKeyBEJUHEXMQGPBPQ-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol?
The IUPAC name of 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol (CID 139090021) is 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol.
What is the SMILES notation for 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol?
The canonical SMILES for 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol is CCC1(OC)CCC(O)(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol?
The InChIKey is BEJUHEXMQGPBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-6-12(15-5)7-9-13(14,10-8-12)11(2,3)4/h14H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol?
1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethyl-4-methoxycyclohexan-1-ol is sourced from PubChem (CID 139090021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).