1-methoxy-2,6-dimethylheptan-2-ol

C10H22O2 — CID 83158619

IUPAC1-methoxy-2,6-dimethylheptan-2-ol
SMILESCOCC(C)(O)CCCC(C)C
InChIInChI=1S/C10H22O2/c1-9(2)6-5-7-10(3,11)8-12-4/h9,11H,5-8H2,1-4H3
InChIKeyUYXXHMZFQIYUKE-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.21
Rot. Bonds6

About 1-methoxy-2,6-dimethylheptan-2-ol

1-methoxy-2,6-dimethylheptan-2-ol (PubChem CID 83158619) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 1-methoxy-2,6-dimethylheptan-2-ol.

Molecular Properties

Compound Name1-methoxy-2,6-dimethylheptan-2-ol
PubChem CID83158619
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name1-methoxy-2,6-dimethylheptan-2-ol
SMILESCOCC(C)(O)CCCC(C)C
InChIInChI=1S/C10H22O2/c1-9(2)6-5-7-10(3,11)8-12-4/h9,11H,5-8H2,1-4H3
InChIKeyUYXXHMZFQIYUKE-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-6-methylheptan-3-ol
CID 65149499
1-methoxy-2-(methoxymethyl)-2,19-dimethylicosane
CID 90409865
ethyl 3-hydroxy-3,7-dimethyloctanoate
CID 3020061
2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
CID 83168520
2,5,8-trimethylnonan-5-ol
CID 58574498
2,6-dimethyl-1-(2-methylpropylamino)heptan-2-ol
CID 83168632
1-ethoxy-5-methoxy-2-methylpentan-2-ol
CID 114852753
1-methoxy-2,5-dimethylhexan-2-amine
CID 62619989
14-methoxy-2,6,10,14-tetramethylhexadecane
CID 91173941
1-(2,13-dimethyltetradecan-2-yloxy)-2-methylpropan-2-ol
CID 146553974
(6R)-6-methoxy-2,2,12-trimethyltridecane
CID 118887775
2,2-dimethoxy-6,10,14-trimethylpentadecane
CID 118520250

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,6-dimethylheptan-2-ol?
The IUPAC name of 1-methoxy-2,6-dimethylheptan-2-ol (CID 83158619) is 1-methoxy-2,6-dimethylheptan-2-ol.
What is the SMILES notation for 1-methoxy-2,6-dimethylheptan-2-ol?
The canonical SMILES for 1-methoxy-2,6-dimethylheptan-2-ol is COCC(C)(O)CCCC(C)C.
What is the InChIKey of 1-methoxy-2,6-dimethylheptan-2-ol?
The InChIKey is UYXXHMZFQIYUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2/c1-9(2)6-5-7-10(3,11)8-12-4/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-2,6-dimethylheptan-2-ol?
1-methoxy-2,6-dimethylheptan-2-ol has a molecular weight of 174.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,6-dimethylheptan-2-ol is sourced from PubChem (CID 83158619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).