CID 11608600

C8H11O2 — CID 11608600

IUPAC—
SMILESC[C@](O)(CO)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H11O2/c1-8(10,6-9)7-4-2-3-5-7/h2-5,9-10H,6H2,1H3/t8-/m0/s1
InChIKeyVKGRCDOFVLAHEE-QMMMGPOBSA-N
MW139.17 g/mol
LogP0.13
Rot. Bonds2

About CID 11608600

CID 11608600 (PubChem CID 11608600) has the molecular formula C8H11O2 and a molecular weight of 139.17 g/mol.

Molecular Properties

Compound NameCID 11608600
PubChem CID11608600
Molecular FormulaC8H11O2
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name—
SMILESC[C@](O)(CO)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C8H11O2/c1-8(10,6-9)7-4-2-3-5-7/h2-5,9-10H,6H2,1H3/t8-/m0/s1
InChIKeyVKGRCDOFVLAHEE-QMMMGPOBSA-N
XLogP0.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 11608600?
The IUPAC name of CID 11608600 (CID 11608600) is not available.
What is the SMILES notation for CID 11608600?
The canonical SMILES for CID 11608600 is C[C@](O)(CO)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11608600?
The InChIKey is VKGRCDOFVLAHEE-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11O2/c1-8(10,6-9)7-4-2-3-5-7/h2-5,9-10H,6H2,1H3/t8-/m0/s1.
What are the key properties of CID 11608600?
CID 11608600 has a molecular weight of 139.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11608600 is sourced from PubChem (CID 11608600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).