4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol

C16H32O2 — CID 103284715

IUPAC4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol
SMILESCCCC(C)COC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C16H32O2/c1-6-7-12(2)11-18-15-10-13(16(3,4)5)8-9-14(15)17/h12-15,17H,6-11H2,1-5H3
InChIKeyBMJNJTFDLWRQTN-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.01
Rot. Bonds5

About 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol

4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol (PubChem CID 103284715) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol
PubChem CID103284715
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol
SMILESCCCC(C)COC1CC(C(C)(C)C)CCC1O
InChIInChI=1S/C16H32O2/c1-6-7-12(2)11-18-15-10-13(16(3,4)5)8-9-14(15)17/h12-15,17H,6-11H2,1-5H3
InChIKeyBMJNJTFDLWRQTN-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpentoxy)cyclododecan-1-ol
CID 103284744
(1S,2R,4R,5R)-3,6-bis(2-methylpentoxy)cyclohexane-1,2,4,5-tetrol
CID 163839559
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
1-iodo-2-(2-methylpentoxy)cyclooctane
CID 103285146
4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
CID 115942468
1-bromo-2-(2-methylpentoxy)cyclohexane
CID 103285067
4-tert-butyl-2-ethoxycyclohexane-1-carbonitrile
CID 43292132
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
4-tert-butyl-N-methyl-2-(2-methylpentyl)cyclohexan-1-amine
CID 63401489
[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methanamine
CID 65052671
2-(cyclohexylmethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63466844
(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 134851206

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol (CID 103284715) is 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol is CCCC(C)COC1CC(C(C)(C)C)CCC1O.
What is the InChIKey of 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol?
The InChIKey is BMJNJTFDLWRQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-7-12(2)11-18-15-10-13(16(3,4)5)8-9-14(15)17/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol?
4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2-methylpentoxy)cyclohexan-1-ol is sourced from PubChem (CID 103284715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).