CID 11529542

C9H13 — CID 11529542

IUPAC—
SMILESCC[C@H](C)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C9H13/c1-3-8(2)9-6-4-5-7-9/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyQOPMCBVFHXYRLV-QMMMGPOBSA-N
MW121.20 g/mol
LogP2.44
Rot. Bonds2

About CID 11529542

CID 11529542 (PubChem CID 11529542) has the molecular formula C9H13 and a molecular weight of 121.20 g/mol.

Molecular Properties

Compound NameCID 11529542
PubChem CID11529542
Molecular FormulaC9H13
Molecular Weight121.20 g/mol
Exact Mass121.10
IUPAC Name—
SMILESCC[C@H](C)[C]1[CH][CH][CH][CH]1
InChIInChI=1S/C9H13/c1-3-8(2)9-6-4-5-7-9/h4-8H,3H2,1-2H3/t8-/m0/s1
InChIKeyQOPMCBVFHXYRLV-QMMMGPOBSA-N
XLogP2.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 11529542?
The IUPAC name of CID 11529542 (CID 11529542) is not available.
What is the SMILES notation for CID 11529542?
The canonical SMILES for CID 11529542 is CC[C@H](C)[C]1[CH][CH][CH][CH]1.
What is the InChIKey of CID 11529542?
The InChIKey is QOPMCBVFHXYRLV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13/c1-3-8(2)9-6-4-5-7-9/h4-8H,3H2,1-2H3/t8-/m0/s1.
What are the key properties of CID 11529542?
CID 11529542 has a molecular weight of 121.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11529542 is sourced from PubChem (CID 11529542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).