2-methylprop-1-enoxymethanediol

C5H10O3 — CID 154411235

IUPAC2-methylprop-1-enoxymethanediol
SMILESCC(C)=COC(O)O
InChIInChI=1S/C5H10O3/c1-4(2)3-8-5(6)7/h3,5-7H,1-2H3
InChIKeySRLVMXOSRQTGJQ-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.19
Rot. Bonds2

About 2-methylprop-1-enoxymethanediol

2-methylprop-1-enoxymethanediol (PubChem CID 154411235) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-methylprop-1-enoxymethanediol.

Molecular Properties

Compound Name2-methylprop-1-enoxymethanediol
PubChem CID154411235
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2-methylprop-1-enoxymethanediol
SMILESCC(C)=COC(O)O
InChIInChI=1S/C5H10O3/c1-4(2)3-8-5(6)7/h3,5-7H,1-2H3
InChIKeySRLVMXOSRQTGJQ-UHFFFAOYSA-N
XLogP0.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-methylprop-1-enoxymethanediol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-2-methylprop-1-ene
CID 551188
2-methylprop-1-enoxysilane
CID 102151520
1-methoxy-2-methylprop-1-ene;hydrofluoride
CID 174504436
(Z)-1-propan-2-yloxy-2-[(Z)-1-propan-2-yloxyprop-1-en-2-yl]oxyprop-1-ene
CID 88809634
bis(hydroxymethoxy)-(hydroxymethyl)-(2-methylprop-1-enoxy)phosphanium
CID 87966512
bis(2-methylprop-1-enyl) hydrogen phosphite
CID 139918667
CID 162565379
CID 162565379
2,2-dimethyl-1-(2-methylprop-1-enoxy)propane
CID 22234825
(E)-3-(dihydroxymethoxy)prop-2-enal
CID 89229878
2-(2-methylprop-1-enoxy)ethylphosphane
CID 151289257
4-(2-methylprop-1-enoxy)-4-oxobutanoic acid
CID 22402790
methanol;methoxymethanediol
CID 162244729

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enoxymethanediol?
The IUPAC name of 2-methylprop-1-enoxymethanediol (CID 154411235) is 2-methylprop-1-enoxymethanediol.
What is the SMILES notation for 2-methylprop-1-enoxymethanediol?
The canonical SMILES for 2-methylprop-1-enoxymethanediol is CC(C)=COC(O)O.
What is the InChIKey of 2-methylprop-1-enoxymethanediol?
The InChIKey is SRLVMXOSRQTGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-4(2)3-8-5(6)7/h3,5-7H,1-2H3.
What are the key properties of 2-methylprop-1-enoxymethanediol?
2-methylprop-1-enoxymethanediol has a molecular weight of 118.13 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enoxymethanediol is sourced from PubChem (CID 154411235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).