2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol

C13H26O2 — CID 79568315

IUPAC2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol
SMILESCCOCC1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C13H26O2/c1-5-15-10-13(14)9-7-6-8-11(13)12(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyPDJLNTHBHSZLMA-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds3

About 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol

2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol (PubChem CID 79568315) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol
PubChem CID79568315
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol
SMILESCCOCC1(O)CCCCC1C(C)(C)C
InChIInChI=1S/C13H26O2/c1-5-15-10-13(14)9-7-6-8-11(13)12(2,3)4/h11,14H,5-10H2,1-4H3
InChIKeyPDJLNTHBHSZLMA-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-pentylcyclohexan-1-ol
CID 65147794
2-(2-tert-butyl-1-hydroxycyclohexyl)acetonitrile
CID 79118971
1-(ethoxymethyl)-2-phenylcyclohexan-1-ol
CID 79566677
cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol
CID 171582081
trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
2-tert-butyl-1-[(2-methylpropylamino)methyl]cyclohexan-1-ol
CID 62772585
2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 105402426
1-(chloromethyl)-2-ethoxycyclohexan-1-ol
CID 140525634
ethyl 2-(2-tert-butyl-1-hydroxycyclohexyl)-2,2-difluoroacetate
CID 63488712
(2-tert-butyl-1-ethoxycyclohexyl)methanamine
CID 66072157
4-tert-butylspiro[4.4]nonane
CID 140778111
2-tert-butyl-1-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 63407081

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol (CID 79568315) is 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol is CCOCC1(O)CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol?
The InChIKey is PDJLNTHBHSZLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-15-10-13(14)9-7-6-8-11(13)12(2,3)4/h11,14H,5-10H2,1-4H3.
What are the key properties of 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol?
2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(ethoxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 79568315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).