2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

C15H28O2 — CID 81313760

IUPAC2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)CC1CCOCC1
InChIInChI=1S/C15H28O2/c1-12-10-14(2,3)6-7-15(12,16)11-13-4-8-17-9-5-13/h12-13,16H,4-11H2,1-3H3
InChIKeyLYOSNNCVTCQKJA-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.38
Rot. Bonds2

About 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (PubChem CID 81313760) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
PubChem CID81313760
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)CC1CCOCC1
InChIInChI=1S/C15H28O2/c1-12-10-14(2,3)6-7-15(12,16)11-13-4-8-17-9-5-13/h12-13,16H,4-11H2,1-3H3
InChIKeyLYOSNNCVTCQKJA-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65153619
3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65147877
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 65391768
2,4,4-trimethyl-1-prop-2-ynylcyclohexan-1-ol
CID 81314692
3-ethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65149276
2,4,4-trimethyl-1-octylcyclohexan-1-ol
CID 81315445
3-cyclopropyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65154108
8-(oxan-4-ylmethyl)spiro[4.5]decan-8-ol
CID 114819637
3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 116538676
4-[[1-(chloromethyl)cyclobutyl]methyl]oxane
CID 66033311
2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
CID 107268217
4-tert-butyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
CID 65147484

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (CID 81313760) is 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol is CC1CC(C)(C)CCC1(O)CC1CCOCC1.
What is the InChIKey of 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is LYOSNNCVTCQKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12-10-14(2,3)6-7-15(12,16)11-13-4-8-17-9-5-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 81313760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).