6-methoxy-2-methylheptan-1-ol

C9H20O2 — CID 139725906

IUPAC6-methoxy-2-methylheptan-1-ol
SMILESCOC(C)CCCC(C)CO
InChIInChI=1S/C9H20O2/c1-8(7-10)5-4-6-9(2)11-3/h8-10H,4-7H2,1-3H3
InChIKeyDMDJFDLFYGHXRK-UHFFFAOYSA-N
MW160.26 g/mol
LogP1.82
Rot. Bonds6

About 6-methoxy-2-methylheptan-1-ol

6-methoxy-2-methylheptan-1-ol (PubChem CID 139725906) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 6-methoxy-2-methylheptan-1-ol.

Molecular Properties

Compound Name6-methoxy-2-methylheptan-1-ol
PubChem CID139725906
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name6-methoxy-2-methylheptan-1-ol
SMILESCOC(C)CCCC(C)CO
InChIInChI=1S/C9H20O2/c1-8(7-10)5-4-6-9(2)11-3/h8-10H,4-7H2,1-3H3
InChIKeyDMDJFDLFYGHXRK-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethylheptane-1,7-diol
CID 12653721
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2-methoxy-6,10-dimethyltridecane
CID 91615428
2,7-dimethyloctane-1,8-diol
CID 11008425
(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
CID 170847769
CID 172712223
CID 172712223
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
CID 106158376
7-methoxy-3-methyloctanal
CID 71429921
6-iodo-2-methylheptan-1-ol
CID 167560507
2-methylhexan-1-ol
CID 159157237
ethane;2-methoxyhexane
CID 91199174
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylheptan-1-ol?
The IUPAC name of 6-methoxy-2-methylheptan-1-ol (CID 139725906) is 6-methoxy-2-methylheptan-1-ol.
What is the SMILES notation for 6-methoxy-2-methylheptan-1-ol?
The canonical SMILES for 6-methoxy-2-methylheptan-1-ol is COC(C)CCCC(C)CO.
What is the InChIKey of 6-methoxy-2-methylheptan-1-ol?
The InChIKey is DMDJFDLFYGHXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-8(7-10)5-4-6-9(2)11-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-methoxy-2-methylheptan-1-ol?
6-methoxy-2-methylheptan-1-ol has a molecular weight of 160.26 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylheptan-1-ol is sourced from PubChem (CID 139725906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).