1-methoxydec-9-ene-3,6-diol

C11H22O3 — CID 91577196

IUPAC1-methoxydec-9-ene-3,6-diol
SMILESC=CCCC(O)CCC(O)CCOC
InChIInChI=1S/C11H22O3/c1-3-4-5-10(12)6-7-11(13)8-9-14-2/h3,10-13H,1,4-9H2,2H3
InChIKeySQJJCHDYQYYPDD-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.49
Rot. Bonds9

About 1-methoxydec-9-ene-3,6-diol

1-methoxydec-9-ene-3,6-diol (PubChem CID 91577196) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-methoxydec-9-ene-3,6-diol.

Molecular Properties

Compound Name1-methoxydec-9-ene-3,6-diol
PubChem CID91577196
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-methoxydec-9-ene-3,6-diol
SMILESC=CCCC(O)CCC(O)CCOC
InChIInChI=1S/C11H22O3/c1-3-4-5-10(12)6-7-11(13)8-9-14-2/h3,10-13H,1,4-9H2,2H3
InChIKeySQJJCHDYQYYPDD-UHFFFAOYSA-N
XLogP1.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
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CID 57009885
1-(2-hydroxyhex-5-enylsulfanyloxysulfanyl)hex-5-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-methoxydec-9-ene-3,6-diol?
The IUPAC name of 1-methoxydec-9-ene-3,6-diol (CID 91577196) is 1-methoxydec-9-ene-3,6-diol.
What is the SMILES notation for 1-methoxydec-9-ene-3,6-diol?
The canonical SMILES for 1-methoxydec-9-ene-3,6-diol is C=CCCC(O)CCC(O)CCOC.
What is the InChIKey of 1-methoxydec-9-ene-3,6-diol?
The InChIKey is SQJJCHDYQYYPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-3-4-5-10(12)6-7-11(13)8-9-14-2/h3,10-13H,1,4-9H2,2H3.
What are the key properties of 1-methoxydec-9-ene-3,6-diol?
1-methoxydec-9-ene-3,6-diol has a molecular weight of 202.29 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxydec-9-ene-3,6-diol is sourced from PubChem (CID 91577196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).