CID 10873931

C8H11O2 — CID 10873931

IUPAC—
SMILES[CH2][C]([CH]C(=C)C)C(=O)OC
InChIInChI=1S/C8H11O2/c1-6(2)5-7(3)8(9)10-4/h5H,1,3H2,2,4H3
InChIKeyKIUOLYQQYLSARR-UHFFFAOYSA-N
MW139.17 g/mol
LogP1.35
Rot. Bonds3

About CID 10873931

CID 10873931 (PubChem CID 10873931) has the molecular formula C8H11O2 and a molecular weight of 139.17 g/mol.

Molecular Properties

Compound NameCID 10873931
PubChem CID10873931
Molecular FormulaC8H11O2
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name—
SMILES[CH2][C]([CH]C(=C)C)C(=O)OC
InChIInChI=1S/C8H11O2/c1-6(2)5-7(3)8(9)10-4/h5H,1,3H2,2,4H3
InChIKeyKIUOLYQQYLSARR-UHFFFAOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 10873931 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

methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
dimethyl oxalate
CID 11120
methyl 2-hydroxy(113C)prop-2-enoate
CID 102061345
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen
CID 160751832

Frequently Asked Questions

What is the IUPAC name of CID 10873931?
The IUPAC name of CID 10873931 (CID 10873931) is not available.
What is the SMILES notation for CID 10873931?
The canonical SMILES for CID 10873931 is [CH2][C]([CH]C(=C)C)C(=O)OC.
What is the InChIKey of CID 10873931?
The InChIKey is KIUOLYQQYLSARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2/c1-6(2)5-7(3)8(9)10-4/h5H,1,3H2,2,4H3.
What are the key properties of CID 10873931?
CID 10873931 has a molecular weight of 139.17 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10873931 is sourced from PubChem (CID 10873931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).