5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol

C12H24O3 — CID 103035277

IUPAC5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol
SMILESCOC(C)(C)CCC(C)(O)C1CCOC1
InChIInChI=1S/C12H24O3/c1-11(2,14-4)6-7-12(3,13)10-5-8-15-9-10/h10,13H,5-9H2,1-4H3
InChIKeyMPDKWSDGFQKLIG-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.98
Rot. Bonds5

About 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol

5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol (PubChem CID 103035277) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol.

Molecular Properties

Compound Name5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol
PubChem CID103035277
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol
SMILESCOC(C)(C)CCC(C)(O)C1CCOC1
InChIInChI=1S/C12H24O3/c1-11(2,14-4)6-7-12(3,13)10-5-8-15-9-10/h10,13H,5-9H2,1-4H3
InChIKeyMPDKWSDGFQKLIG-UHFFFAOYSA-N
XLogP1.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-3-methyl-2-(oxolan-3-yl)butan-2-ol
CID 130488152
3-(3-methoxy-3-methylbutyl)oxan-4-ol
CID 106471274
3-(3-methoxy-3-methylbutoxy)oxan-4-amine
CID 106665295
2,5-dimethoxy-2,5-dimethylhexane
CID 552009
5-methoxy-2,5-dimethylhexan-2-ol
CID 21053495
[4-methoxy-4-methyl-1-(oxolan-3-yl)pentyl]hydrazine
CID 103026580
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455
2-(oxolan-3-yl)propane-2-thiol
CID 126657698
3,4-dimethyl-2-(oxolan-3-yl)pentan-2-ol
CID 131113950
2-methoxy-2-(oxolan-3-yl)butanenitrile
CID 130503621
N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
CID 122240134
4-(2-methylpentan-2-yl)oxane
CID 129015452

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol?
The IUPAC name of 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol (CID 103035277) is 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol.
What is the SMILES notation for 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol?
The canonical SMILES for 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol is COC(C)(C)CCC(C)(O)C1CCOC1.
What is the InChIKey of 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol?
The InChIKey is MPDKWSDGFQKLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-11(2,14-4)6-7-12(3,13)10-5-8-15-9-10/h10,13H,5-9H2,1-4H3.
What are the key properties of 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol?
5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol has a molecular weight of 216.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-2-(oxolan-3-yl)hexan-2-ol is sourced from PubChem (CID 103035277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).