3-(methoxymethoxymethyl)pent-1-en-3-ol

C8H16O3 — CID 10329562

IUPAC3-(methoxymethoxymethyl)pent-1-en-3-ol
SMILESC=CC(O)(CC)COCOC
InChIInChI=1S/C8H16O3/c1-4-8(9,5-2)6-11-7-10-3/h4,9H,1,5-7H2,2-3H3
InChIKeyVBCBIJLILNEMCD-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds6

About 3-(methoxymethoxymethyl)pent-1-en-3-ol

3-(methoxymethoxymethyl)pent-1-en-3-ol (PubChem CID 10329562) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-(methoxymethoxymethyl)pent-1-en-3-ol.

Molecular Properties

Compound Name3-(methoxymethoxymethyl)pent-1-en-3-ol
PubChem CID10329562
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-(methoxymethoxymethyl)pent-1-en-3-ol
SMILESC=CC(O)(CC)COCOC
InChIInChI=1S/C8H16O3/c1-4-8(9,5-2)6-11-7-10-3/h4,9H,1,5-7H2,2-3H3
InChIKeyVBCBIJLILNEMCD-UHFFFAOYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.93
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

4-(Methoxymethoxy)-2,3-dimethyl-1,4,5-hexatrien-3-ol
CID 24973592
1-[1-(2-Methoxyethoxymethoxy)cyclopropyl]prop-2-en-1-ol
CID 134877642
(3R,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930503
(3S,4S)-4-(ethoxymethoxy)-3-methylhex-5-en-3-ol
CID 134930959
(3S)-5,5-dimethoxy-3-methylpent-1-en-3-ol
CID 11094927
1,1-Dimethoxy-2-methylpent-4-en-2-ol
CID 12437638
3-(2-Hydroxyethoxymethyl)pent-1-en-3-ol
CID 23505030
(3S)-3-(methoxymethyl)-4-methylpent-1-en-3-ol
CID 59911274
1,2-Dimethoxy-2-methylpent-4-en-1-ol
CID 91009718
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 117635878
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)but-3-en-2-ol
CID 123533321
3-(2-Ethoxyethoxymethyl)pent-1-en-3-ol
CID 140333098

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxymethyl)pent-1-en-3-ol?
The IUPAC name of 3-(methoxymethoxymethyl)pent-1-en-3-ol (CID 10329562) is 3-(methoxymethoxymethyl)pent-1-en-3-ol.
What is the SMILES notation for 3-(methoxymethoxymethyl)pent-1-en-3-ol?
The canonical SMILES for 3-(methoxymethoxymethyl)pent-1-en-3-ol is C=CC(O)(CC)COCOC.
What is the InChIKey of 3-(methoxymethoxymethyl)pent-1-en-3-ol?
The InChIKey is VBCBIJLILNEMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-8(9,5-2)6-11-7-10-3/h4,9H,1,5-7H2,2-3H3.
What are the key properties of 3-(methoxymethoxymethyl)pent-1-en-3-ol?
3-(methoxymethoxymethyl)pent-1-en-3-ol has a molecular weight of 160.21 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxymethyl)pent-1-en-3-ol is sourced from PubChem (CID 10329562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).