CID 101002238

C7H11O2 — CID 101002238

IUPAC—
SMILESC[C@@H]1C(=O)C[CH]C[C@@H]1O
InChIInChI=1S/C7H11O2/c1-5-6(8)3-2-4-7(5)9/h2,5-6,8H,3-4H2,1H3/t5-,6-/m0/s1
InChIKeyQLQIYSHMKGZKKH-WDSKDSINSA-N
MW127.16 g/mol
LogP0.55
Rot. Bonds

About CID 101002238

CID 101002238 (PubChem CID 101002238) has the molecular formula C7H11O2 and a molecular weight of 127.16 g/mol.

Molecular Properties

Compound NameCID 101002238
PubChem CID101002238
Molecular FormulaC7H11O2
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name—
SMILESC[C@@H]1C(=O)C[CH]C[C@@H]1O
InChIInChI=1S/C7H11O2/c1-5-6(8)3-2-4-7(5)9/h2,5-6,8H,3-4H2,1H3/t5-,6-/m0/s1
InChIKeyQLQIYSHMKGZKKH-WDSKDSINSA-N
XLogP0.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 101002238?
The IUPAC name of CID 101002238 (CID 101002238) is not available.
What is the SMILES notation for CID 101002238?
The canonical SMILES for CID 101002238 is C[C@@H]1C(=O)C[CH]C[C@@H]1O.
What is the InChIKey of CID 101002238?
The InChIKey is QLQIYSHMKGZKKH-WDSKDSINSA-N. The full InChI is InChI=1S/C7H11O2/c1-5-6(8)3-2-4-7(5)9/h2,5-6,8H,3-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of CID 101002238?
CID 101002238 has a molecular weight of 127.16 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101002238 is sourced from PubChem (CID 101002238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).