4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol

C14H28O2 — CID 115789666

IUPAC4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
SMILESCC(CC(O)CC1CCOCC1)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-11(14(2,3)4)9-13(15)10-12-5-7-16-8-6-12/h11-13,15H,5-10H2,1-4H3
InChIKeyCFNWGWLXZIPUSR-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.24
Rot. Bonds4

About 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol

4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol (PubChem CID 115789666) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol.

Molecular Properties

Compound Name4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
PubChem CID115789666
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
SMILESCC(CC(O)CC1CCOCC1)C(C)(C)C
InChIInChI=1S/C14H28O2/c1-11(14(2,3)4)9-13(15)10-12-5-7-16-8-6-12/h11-13,15H,5-10H2,1-4H3
InChIKeyCFNWGWLXZIPUSR-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,8-Dimethyl-2-oxabicyclo[4.2.0]octan-7-ol
CID 522955
rac-(1R,2S)-2-(oxan-4-yl)cyclohexan-1-ol
CID 147689783
3-Pentyloxan-4-ol
CID 71391872
3-Butyl-5-methyloxan-4-ol
CID 85799495
(3-Tert-butyl-4-methoxycyclohexyl)methanol
CID 22121374
4-[(2S,5R,6S)-5-methyl-6-pentan-3-yloxan-2-yl]butan-1-ol
CID 11139313
3-Hexyl-4-hydroxy-tetrahydro pyran
CID 14738562
(3S,5S)-3,6,6-Trimethylheptane-1,5-diol
CID 71441970
4-[(2S,3S)-3-methyloxolan-2-yl]butan-1-ol
CID 122224443
Methoxyathylmenthol
CID 129640465
1-Tetrahydrofuryl-2-ethyl-4-pentanol
CID 129806372
1-Tetrahydrofuryl-2-ethyl-4-hexanol
CID 129806446

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol?
The IUPAC name of 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol (CID 115789666) is 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol.
What is the SMILES notation for 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol?
The canonical SMILES for 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol is CC(CC(O)CC1CCOCC1)C(C)(C)C.
What is the InChIKey of 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol?
The InChIKey is CFNWGWLXZIPUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(14(2,3)4)9-13(15)10-12-5-7-16-8-6-12/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol?
4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol is sourced from PubChem (CID 115789666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).