ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane

C10H22O3 — CID 174750448

IUPACethane-1,2-diol;3-methyl-1-prop-2-enoxybutane
SMILESC=CCOCCC(C)C.OCCO
InChIInChI=1S/C8H16O.C2H6O2/c1-4-6-9-7-5-8(2)3;3-1-2-4/h4,8H,1,5-7H2,2-3H3;3-4H,1-2H2
InChIKeyFFUZOMZAAIMQEN-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.21
Rot. Bonds6

About ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane

ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane (PubChem CID 174750448) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane.

Molecular Properties

Compound Nameethane-1,2-diol;3-methyl-1-prop-2-enoxybutane
PubChem CID174750448
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Nameethane-1,2-diol;3-methyl-1-prop-2-enoxybutane
SMILESC=CCOCCC(C)C.OCCO
InChIInChI=1S/C8H16O.C2H6O2/c1-4-6-9-7-5-8(2)3;3-1-2-4/h4,8H,1,5-7H2,2-3H3;3-4H,1-2H2
InChIKeyFFUZOMZAAIMQEN-UHFFFAOYSA-N
XLogP1.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane 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

3,5-dimethyl-1,7-bis(prop-2-enoxy)heptan-4-ol
CID 166514996
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
3-methoxyprop-1-ene;3-methylbutan-1-ol
CID 87580492
butane-1,3-diol;3-prop-2-enoxyprop-1-ene
CID 22165027
trimethyl(4-prop-2-enoxybutan-2-yl)azanium
CID 173322121
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
3-methyl-5-(3-methylbutoxy)pentan-1-ol
CID 175419850
4-prop-2-enoxybutan-2-yl acetate
CID 174472917
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
ethane-1,2-diol;3-methyl-1-(3-methylbutoxy)butane;bis(2-sulfanylacetic acid)
CID 174646492

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane?
The IUPAC name of ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane (CID 174750448) is ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane.
What is the SMILES notation for ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane?
The canonical SMILES for ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane is C=CCOCCC(C)C.OCCO.
What is the InChIKey of ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane?
The InChIKey is FFUZOMZAAIMQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H6O2/c1-4-6-9-7-5-8(2)3;3-1-2-4/h4,8H,1,5-7H2,2-3H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane?
ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane has a molecular weight of 190.28 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;3-methyl-1-prop-2-enoxybutane is sourced from PubChem (CID 174750448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).