3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol

C14H28O3 — CID 135071152

IUPAC3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol
SMILESCC(CCCC(C)(C)O)CC1CCCOC1O
InChIInChI=1S/C14H28O3/c1-11(6-4-8-14(2,3)16)10-12-7-5-9-17-13(12)15/h11-13,15-16H,4-10H2,1-3H3
InChIKeyZIIJYXBOETUVQO-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.70
Rot. Bonds6

About 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol

3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol (PubChem CID 135071152) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol.

Molecular Properties

Compound Name3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol
PubChem CID135071152
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol
SMILESCC(CCCC(C)(C)O)CC1CCCOC1O
InChIInChI=1S/C14H28O3/c1-11(6-4-8-14(2,3)16)10-12-7-5-9-17-13(12)15/h11-13,15-16H,4-10H2,1-3H3
InChIKeyZIIJYXBOETUVQO-UHFFFAOYSA-N
XLogP2.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139583645
CID 139583645
11-Hydroxythromboxane
CID 23401616
3-Propan-2-yloxan-2-ol
CID 71379646
(3R,4R,5R,6S)-6-ethyl-3,5-dimethyloxane-2,4-diol
CID 102209062
2,4-Dimethyl-6-(oxan-2-yloxy)heptan-1-ol
CID 72775627
(2S,3S,4R,5R,6R)-6-[(2S)-butan-2-yl]-3,5-dimethyloxane-2,4-diol
CID 11148373
(2S,3R,4R,5S,6R)-2-ethyl-3,5-dimethyl-6-propan-2-yloxane-2,4-diol
CID 11447259
(3R,4R,5R,6S)-3,5-dimethyl-6-propan-2-yloxane-2,4-diol
CID 11816309
2,6-Diethyl-3,5-dimethyl-2-hydroxy-tetrahydropyran
CID 14522549

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol?
The IUPAC name of 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol (CID 135071152) is 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol.
What is the SMILES notation for 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol?
The canonical SMILES for 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol is CC(CCCC(C)(C)O)CC1CCCOC1O.
What is the InChIKey of 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol?
The InChIKey is ZIIJYXBOETUVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-11(6-4-8-14(2,3)16)10-12-7-5-9-17-13(12)15/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol?
3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol has a molecular weight of 244.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-2,6-dimethylheptyl)oxan-2-ol is sourced from PubChem (CID 135071152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).