2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol

C14H26O2 — CID 64748775

IUPAC2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol
SMILESCC1CCC(C2(O)CCOC(C)(C)C2)CC1
InChIInChI=1S/C14H26O2/c1-11-4-6-12(7-5-11)14(15)8-9-16-13(2,3)10-14/h11-12,15H,4-10H2,1-3H3
InChIKeyCKMHAZLFQQXQJO-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.13
Rot. Bonds1

About 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol

2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol (PubChem CID 64748775) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol
PubChem CID64748775
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol
SMILESCC1CCC(C2(O)CCOC(C)(C)C2)CC1
InChIInChI=1S/C14H26O2/c1-11-4-6-12(7-5-11)14(15)8-9-16-13(2,3)10-14/h11-12,15H,4-10H2,1-3H3
InChIKeyCKMHAZLFQQXQJO-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912832
3,3-dimethyl-1-(oxan-4-yl)cyclopentan-1-ol
CID 80698554
1-(4-methylcyclohexyl)-4-[(4-methylcyclohexyl)methyl]cyclohexan-1-ol
CID 59969086
3-amino-1-(4-methylcyclohexyl)cyclobutan-1-ol
CID 80561498
3-cyclopropyl-2,2-dimethyloxolan-3-ol
CID 126990500
4-(2-cyclopropylethyl)-2,2-dimethyloxan-4-ol
CID 106590447
1-methyl-3-(4-methylcyclohexyl)pyrrolidin-3-ol
CID 64749345
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118095
3,3-dimethyl-1-(oxan-4-yl)cyclobutan-1-ol
CID 130893120
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
1-(4-methylcyclohexyl)-4-propylcycloheptan-1-ol
CID 65090860
4-(2,3-dihydrofuran-4-yl)-2,2-dimethyloxan-4-ol
CID 130579010

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol?
The IUPAC name of 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol (CID 64748775) is 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol?
The canonical SMILES for 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol is CC1CCC(C2(O)CCOC(C)(C)C2)CC1.
What is the InChIKey of 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol?
The InChIKey is CKMHAZLFQQXQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11-4-6-12(7-5-11)14(15)8-9-16-13(2,3)10-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol?
2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol has a molecular weight of 226.36 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methylcyclohexyl)oxan-4-ol is sourced from PubChem (CID 64748775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).