6-ethyl-3-methoxy-3-methyloctan-4-ol

C12H26O2 — CID 116752010

IUPAC6-ethyl-3-methoxy-3-methyloctan-4-ol
SMILESCCC(CC)CC(O)C(C)(CC)OC
InChIInChI=1S/C12H26O2/c1-6-10(7-2)9-11(13)12(4,8-3)14-5/h10-11,13H,6-9H2,1-5H3
InChIKeySASSOWOXMZUPPR-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.99
Rot. Bonds7

About 6-ethyl-3-methoxy-3-methyloctan-4-ol

6-ethyl-3-methoxy-3-methyloctan-4-ol (PubChem CID 116752010) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 6-ethyl-3-methoxy-3-methyloctan-4-ol.

Molecular Properties

Compound Name6-ethyl-3-methoxy-3-methyloctan-4-ol
PubChem CID116752010
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name6-ethyl-3-methoxy-3-methyloctan-4-ol
SMILESCCC(CC)CC(O)C(C)(CC)OC
InChIInChI=1S/C12H26O2/c1-6-10(7-2)9-11(13)12(4,8-3)14-5/h10-11,13H,6-9H2,1-5H3
InChIKeySASSOWOXMZUPPR-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-methylheptane-2,3-diol
CID 103449113
3-methoxy-3-methylnonan-4-ol
CID 116751924
1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
CID 116751802
1-ethylsulfonyl-5-methoxy-5-methylheptan-4-ol
CID 116752031
3-methoxy-2,3-dimethylpentan-1-ol
CID 87273365
3-methoxy-3-methyl-1-(oxan-4-yl)pentan-2-ol
CID 116751875
1-(2-chlorophenyl)-3-methoxy-3-methylpentan-2-ol
CID 116751904
4-ethyl-4-methoxy-5-methylhexan-3-ol
CID 23385015
3-methoxy-3-methylpentan-2-amine
CID 116757359
1-(4-fluorophenyl)-2-methoxy-2-methylbutan-1-ol
CID 116752073
6-ethyl-3,3-dimethyldecan-4-ol
CID 114981382
7-ethyl-3-methylnonane-3,5-diol
CID 87744147

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methoxy-3-methyloctan-4-ol?
The IUPAC name of 6-ethyl-3-methoxy-3-methyloctan-4-ol (CID 116752010) is 6-ethyl-3-methoxy-3-methyloctan-4-ol.
What is the SMILES notation for 6-ethyl-3-methoxy-3-methyloctan-4-ol?
The canonical SMILES for 6-ethyl-3-methoxy-3-methyloctan-4-ol is CCC(CC)CC(O)C(C)(CC)OC.
What is the InChIKey of 6-ethyl-3-methoxy-3-methyloctan-4-ol?
The InChIKey is SASSOWOXMZUPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-6-10(7-2)9-11(13)12(4,8-3)14-5/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 6-ethyl-3-methoxy-3-methyloctan-4-ol?
6-ethyl-3-methoxy-3-methyloctan-4-ol has a molecular weight of 202.34 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methoxy-3-methyloctan-4-ol is sourced from PubChem (CID 116752010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).