3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol

C14H28O3 — CID 112588812

IUPAC3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
SMILESCC1CC(C)C(OCCOC(C)(C)C)C(O)C1
InChIInChI=1S/C14H28O3/c1-10-8-11(2)13(12(15)9-10)16-6-7-17-14(3,4)5/h10-13,15H,6-9H2,1-5H3
InChIKeyYHFMLVGSNAFLDW-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.61
Rot. Bonds4

About 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol

3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol (PubChem CID 112588812) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
PubChem CID112588812
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
SMILESCC1CC(C)C(OCCOC(C)(C)C)C(O)C1
InChIInChI=1S/C14H28O3/c1-10-8-11(2)13(12(15)9-10)16-6-7-17-14(3,4)5/h10-13,15H,6-9H2,1-5H3
InChIKeyYHFMLVGSNAFLDW-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)-3,5-dimethylcyclohexan-1-ol
CID 64751700
2-(2-cyclopropylethoxy)-3,5-dimethylcyclohexan-1-ol
CID 106203905
2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylcyclohexan-1-ol
CID 104564712
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol
CID 115942497
4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
CID 115942468
4-methyl-2-[2-[4-[(2-methylpropan-2-yl)oxy]butoxy]ethoxy]-1-prop-1-en-2-ylcyclohexane
CID 67096274
2-(3,3-dimethylbutoxy)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 66234496
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-amine
CID 112587357
3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol
CID 107942520
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
2-methoxy-N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclobutan-1-amine
CID 104675029
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol (CID 112588812) is 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol is CC1CC(C)C(OCCOC(C)(C)C)C(O)C1.
What is the InChIKey of 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol?
The InChIKey is YHFMLVGSNAFLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-10-8-11(2)13(12(15)9-10)16-6-7-17-14(3,4)5/h10-13,15H,6-9H2,1-5H3.
What are the key properties of 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol?
3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol has a molecular weight of 244.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol is sourced from PubChem (CID 112588812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).