CID 59269543

C8H14O — CID 59269543

IUPAC—
SMILES[CH]CCCOCC(=C)C
InChIInChI=1S/C8H14O/c1-4-5-6-9-7-8(2)3/h1H,2,4-7H2,3H3
InChIKeySNVLXUUHMOMFSL-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.07
Rot. Bonds5

About CID 59269543

CID 59269543 (PubChem CID 59269543) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol.

Molecular Properties

Compound NameCID 59269543
PubChem CID59269543
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name—
SMILES[CH]CCCOCC(=C)C
InChIInChI=1S/C8H14O/c1-4-5-6-9-7-8(2)3/h1H,2,4-7H2,3H3
InChIKeySNVLXUUHMOMFSL-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 59269543 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-[2-(2-methylprop-2-enoxy)ethoxy]butane
CID 87922728
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
trimethyl-[3-(2-methylprop-2-enoxy)propyl]azanium
CID 88729862
trichloro-[3-(2-methylprop-2-enoxy)propyl]silane
CID 20563726
4-(2-methylprop-2-enoxy)butanoic acid
CID 10103402
dimethoxy-[3-(2-methylprop-2-enoxy)propyl]silane
CID 173004132
2-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 12693581
2-methyl-3-(2-methylprop-2-enoxymethoxy)prop-1-ene
CID 10942706
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
trimethyl-[3-(2-methylprop-2-enoxy)propyl-[3-(2-methylprop-2-enoxy)propyl-bis(trimethylsilyloxy)silyl]oxy-trimethylsilyloxysilyl]oxysilane
CID 87093098
2-[10-(2-methylprop-2-enoxy)decyl]propanedioic acid
CID 87259475
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylprop-2-enoxy)prop-1-ene
CID 22133408

Frequently Asked Questions

What is the IUPAC name of CID 59269543?
The IUPAC name of CID 59269543 (CID 59269543) is not available.
What is the SMILES notation for CID 59269543?
The canonical SMILES for CID 59269543 is [CH]CCCOCC(=C)C.
What is the InChIKey of CID 59269543?
The InChIKey is SNVLXUUHMOMFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-4-5-6-9-7-8(2)3/h1H,2,4-7H2,3H3.
What are the key properties of CID 59269543?
CID 59269543 has a molecular weight of 126.20 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269543 is sourced from PubChem (CID 59269543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).