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

C13H26O3 — CID 135070523

IUPAC3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol
SMILESCC(CCCC(C)(C)O)CC1CCOC1O
InChIInChI=1S/C13H26O3/c1-10(5-4-7-13(2,3)15)9-11-6-8-16-12(11)14/h10-12,14-15H,4-9H2,1-3H3
InChIKeyQSIOFGLHYAOBSB-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.31
Rot. Bonds6

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

3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol (PubChem CID 135070523) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol.

Molecular Properties

Compound Name3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol
PubChem CID135070523
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol
SMILESCC(CCCC(C)(C)O)CC1CCOC1O
InChIInChI=1S/C13H26O3/c1-10(5-4-7-13(2,3)15)9-11-6-8-16-12(11)14/h10-12,14-15H,4-9H2,1-3H3
InChIKeyQSIOFGLHYAOBSB-UHFFFAOYSA-N
XLogP2.31
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Hydroxycitronellal dimethyl acetal
CID 8863
Hydroxycitronellal diethyl acetal
CID 5463911
Hydroxycitronellal propyleneglycol acetal
CID 2839751
Rel-(2R,3S,4R,5R)-4-ethyltetrahydro-3-methyl-5-propylfuran-2,3-diol
CID 139586359
1-Oxaspiro[4.5]decan-2-ol
CID 11446477
3-(2-Methylpropyl)oxolan-2-ol
CID 129108620
4-Butyl-3,5-dimethyl-5-(trifluoromethyl)oxolan-2-ol
CID 177218249
6-(2-Ethyl-1,3-dioxolan-2-yl)-4-methylheptane-2,4-diol
CID 10586533
5,5-Dimethyl-4-propyltetrahydro-2-furanol
CID 11228944
Tetrahydro-5,5-bis(1-methylethyl)-2-furanol
CID 45096542
4-Methyl-1-oxaspiro[4.5]decan-2-ol
CID 12247900
(4S,5R)-5-butyl-4-methyloxolan-2-ol
CID 13349176

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol?
The IUPAC name of 3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol (CID 135070523) is 3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol.
What is the SMILES notation for 3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol?
The canonical SMILES for 3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol is CC(CCCC(C)(C)O)CC1CCOC1O.
What is the InChIKey of 3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol?
The InChIKey is QSIOFGLHYAOBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-10(5-4-7-13(2,3)15)9-11-6-8-16-12(11)14/h10-12,14-15H,4-9H2,1-3H3.
What are the key properties of 3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol?
3-(6-hydroxy-2,6-dimethylheptyl)oxolan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 2.31, 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)oxolan-2-ol is sourced from PubChem (CID 135070523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).