1-methoxy-3,7-dimethyloctane-2,7-diol

C11H24O3 — CID 86278252

IUPAC1-methoxy-3,7-dimethyloctane-2,7-diol
SMILESCOCC(O)C(C)CCCC(C)(C)O
InChIInChI=1S/C11H24O3/c1-9(10(12)8-14-4)6-5-7-11(2,3)13/h9-10,12-13H,5-8H2,1-4H3
InChIKeyYVEUQJISWXLPHX-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.57
Rot. Bonds7

About 1-methoxy-3,7-dimethyloctane-2,7-diol

1-methoxy-3,7-dimethyloctane-2,7-diol (PubChem CID 86278252) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-methoxy-3,7-dimethyloctane-2,7-diol.

Molecular Properties

Compound Name1-methoxy-3,7-dimethyloctane-2,7-diol
PubChem CID86278252
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name1-methoxy-3,7-dimethyloctane-2,7-diol
SMILESCOCC(O)C(C)CCCC(C)(C)O
InChIInChI=1S/C11H24O3/c1-9(10(12)8-14-4)6-5-7-11(2,3)13/h9-10,12-13H,5-8H2,1-4H3
InChIKeyYVEUQJISWXLPHX-UHFFFAOYSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,7-dimethyloctane-2,7-diol?
The IUPAC name of 1-methoxy-3,7-dimethyloctane-2,7-diol (CID 86278252) is 1-methoxy-3,7-dimethyloctane-2,7-diol.
What is the SMILES notation for 1-methoxy-3,7-dimethyloctane-2,7-diol?
The canonical SMILES for 1-methoxy-3,7-dimethyloctane-2,7-diol is COCC(O)C(C)CCCC(C)(C)O.
What is the InChIKey of 1-methoxy-3,7-dimethyloctane-2,7-diol?
The InChIKey is YVEUQJISWXLPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-9(10(12)8-14-4)6-5-7-11(2,3)13/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-3,7-dimethyloctane-2,7-diol?
1-methoxy-3,7-dimethyloctane-2,7-diol has a molecular weight of 204.31 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,7-dimethyloctane-2,7-diol is sourced from PubChem (CID 86278252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).