1-(methoxymethoxy)oct-7-en-4-ol

C10H20O3 — CID 154716161

IUPAC1-(methoxymethoxy)oct-7-en-4-ol
SMILESC=CCCC(O)CCCOCOC
InChIInChI=1S/C10H20O3/c1-3-4-6-10(11)7-5-8-13-9-12-2/h3,10-11H,1,4-9H2,2H3
InChIKeyVDLJNBFDQIHKIC-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.71
Rot. Bonds9

About 1-(methoxymethoxy)oct-7-en-4-ol

1-(methoxymethoxy)oct-7-en-4-ol (PubChem CID 154716161) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(methoxymethoxy)oct-7-en-4-ol.

Molecular Properties

Compound Name1-(methoxymethoxy)oct-7-en-4-ol
PubChem CID154716161
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-(methoxymethoxy)oct-7-en-4-ol
SMILESC=CCCC(O)CCCOCOC
InChIInChI=1S/C10H20O3/c1-3-4-6-10(11)7-5-8-13-9-12-2/h3,10-11H,1,4-9H2,2H3
InChIKeyVDLJNBFDQIHKIC-UHFFFAOYSA-N
XLogP1.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-Diethoxyhept-6-en-3-ol
CID 57827354
(2R,5S)-non-8-ene-2,5-diol
CID 10866610
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(4S,6R)-6-(methoxymethoxy)tridec-1-en-4-ol
CID 12187867
(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-en-2-ol
CID 14164707
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(2R,5R)-5-(methoxymethoxy)hept-6-en-2-ol
CID 44604186
(2S,4S)-4-(methoxymethoxy)hept-6-en-2-ol
CID 46218223
(E,3S)-1-(methoxymethoxy)oct-1-en-3-ol
CID 92033188
(2S,8S,11S)-8,11-bis(methoxymethoxy)tridec-12-en-2-ol
CID 134853342
(2S,3R,4R)-4-(methoxymethoxy)oct-7-ene-1,2,3-triol
CID 134856154

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)oct-7-en-4-ol?
The IUPAC name of 1-(methoxymethoxy)oct-7-en-4-ol (CID 154716161) is 1-(methoxymethoxy)oct-7-en-4-ol.
What is the SMILES notation for 1-(methoxymethoxy)oct-7-en-4-ol?
The canonical SMILES for 1-(methoxymethoxy)oct-7-en-4-ol is C=CCCC(O)CCCOCOC.
What is the InChIKey of 1-(methoxymethoxy)oct-7-en-4-ol?
The InChIKey is VDLJNBFDQIHKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-4-6-10(11)7-5-8-13-9-12-2/h3,10-11H,1,4-9H2,2H3.
What are the key properties of 1-(methoxymethoxy)oct-7-en-4-ol?
1-(methoxymethoxy)oct-7-en-4-ol has a molecular weight of 188.27 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)oct-7-en-4-ol is sourced from PubChem (CID 154716161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).