CID 102088109

C7H9O — CID 102088109

IUPAC—
SMILESCC1=C[C@@H](O)[CH]C=C1
InChIInChI=1S/C7H9O/c1-6-3-2-4-7(8)5-6/h2-5,7-8H,1H3/t7-/m0/s1
InChIKeyLXMIGCBGLVFSAG-ZETCQYMHSA-N
MW109.15 g/mol
LogP1.07
Rot. Bonds

About CID 102088109

CID 102088109 (PubChem CID 102088109) has the molecular formula C7H9O and a molecular weight of 109.15 g/mol.

Molecular Properties

Compound NameCID 102088109
PubChem CID102088109
Molecular FormulaC7H9O
Molecular Weight109.15 g/mol
Exact Mass109.07
IUPAC Name—
SMILESCC1=C[C@@H](O)[CH]C=C1
InChIInChI=1S/C7H9O/c1-6-3-2-4-7(8)5-6/h2-5,7-8H,1H3/t7-/m0/s1
InChIKeyLXMIGCBGLVFSAG-ZETCQYMHSA-N
XLogP1.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 102088109?
The IUPAC name of CID 102088109 (CID 102088109) is not available.
What is the SMILES notation for CID 102088109?
The canonical SMILES for CID 102088109 is CC1=C[C@@H](O)[CH]C=C1.
What is the InChIKey of CID 102088109?
The InChIKey is LXMIGCBGLVFSAG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9O/c1-6-3-2-4-7(8)5-6/h2-5,7-8H,1H3/t7-/m0/s1.
What are the key properties of CID 102088109?
CID 102088109 has a molecular weight of 109.15 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102088109 is sourced from PubChem (CID 102088109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).