1,2-dimethoxy-2-methylpent-4-en-1-ol

C8H16O3 — CID 91009718

IUPAC1,2-dimethoxy-2-methylpent-4-en-1-ol
SMILESC=CCC(C)(OC)C(O)OC
InChIInChI=1S/C8H16O3/c1-5-6-8(2,11-4)7(9)10-3/h5,7,9H,1,6H2,2-4H3
InChIKeyJYYDPZDPCHAPIY-UHFFFAOYSA-N
MW160.21 g/mol
LogP0.93
Rot. Bonds5

About 1,2-dimethoxy-2-methylpent-4-en-1-ol

1,2-dimethoxy-2-methylpent-4-en-1-ol (PubChem CID 91009718) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1,2-dimethoxy-2-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1,2-dimethoxy-2-methylpent-4-en-1-ol
PubChem CID91009718
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1,2-dimethoxy-2-methylpent-4-en-1-ol
SMILESC=CCC(C)(OC)C(O)OC
InChIInChI=1S/C8H16O3/c1-5-6-8(2,11-4)7(9)10-3/h5,7,9H,1,6H2,2-4H3
InChIKeyJYYDPZDPCHAPIY-UHFFFAOYSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-Dimethoxy-2-methylpent-4-en-2-ol
CID 12437638
[2-(dimethoxymethyl)-3H-furan-2-yl]methanol
CID 67828311
1-[2-(2-Hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol
CID 87244320
2-(1-Hydroxy-2-methylpent-4-en-2-yl)oxy-2-methylpent-4-en-1-ol
CID 87872077
1-Ethoxypent-4-en-2-ol;propane-1,1-diol
CID 88433400
(2R)-2-(1-butoxypent-4-enoxy)-2-methylbut-3-en-1-ol
CID 117815816
2-(Hydroxymethoxy)-3-(2-hydroxypent-4-enoxy)-3-methylbutan-1-ol
CID 129103242
2-Butoxy-2-prop-2-enylpent-4-en-1-ol
CID 174403172
2-Methoxy-2-prop-2-enylpent-4-en-1-ol
CID 174471993
1-Methoxy-2-(methoxymethyl)pent-4-en-2-ol
CID 176894840
3-(Methoxymethoxymethyl)pent-1-en-3-ol
CID 10329562
(2S,5R)-2-tert-butyl-5-methyl-5-prop-2-enyl-1,3-dioxolan-4-ol
CID 11052645

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-2-methylpent-4-en-1-ol?
The IUPAC name of 1,2-dimethoxy-2-methylpent-4-en-1-ol (CID 91009718) is 1,2-dimethoxy-2-methylpent-4-en-1-ol.
What is the SMILES notation for 1,2-dimethoxy-2-methylpent-4-en-1-ol?
The canonical SMILES for 1,2-dimethoxy-2-methylpent-4-en-1-ol is C=CCC(C)(OC)C(O)OC.
What is the InChIKey of 1,2-dimethoxy-2-methylpent-4-en-1-ol?
The InChIKey is JYYDPZDPCHAPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-5-6-8(2,11-4)7(9)10-3/h5,7,9H,1,6H2,2-4H3.
What are the key properties of 1,2-dimethoxy-2-methylpent-4-en-1-ol?
1,2-dimethoxy-2-methylpent-4-en-1-ol has a molecular weight of 160.21 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-2-methylpent-4-en-1-ol is sourced from PubChem (CID 91009718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).