CID 58877383

C9H14O2 — CID 58877383

IUPAC—
SMILES[CH][C@H](C(=O)OCC=C)C(C)C
InChIInChI=1S/C9H14O2/c1-5-6-11-9(10)8(4)7(2)3/h4-5,7-8H,1,6H2,2-3H3/t8-/m0/s1
InChIKeyBBLGYPCTBQADPP-QMMMGPOBSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds4

About CID 58877383

CID 58877383 (PubChem CID 58877383) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol.

Molecular Properties

Compound NameCID 58877383
PubChem CID58877383
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name—
SMILES[CH][C@H](C(=O)OCC=C)C(C)C
InChIInChI=1S/C9H14O2/c1-5-6-11-9(10)8(4)7(2)3/h4-5,7-8H,1,6H2,2-3H3/t8-/m0/s1
InChIKeyBBLGYPCTBQADPP-QMMMGPOBSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58877383?
The IUPAC name of CID 58877383 (CID 58877383) is not available.
What is the SMILES notation for CID 58877383?
The canonical SMILES for CID 58877383 is [CH][C@H](C(=O)OCC=C)C(C)C.
What is the InChIKey of CID 58877383?
The InChIKey is BBLGYPCTBQADPP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O2/c1-5-6-11-9(10)8(4)7(2)3/h4-5,7-8H,1,6H2,2-3H3/t8-/m0/s1.
What are the key properties of CID 58877383?
CID 58877383 has a molecular weight of 154.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58877383 is sourced from PubChem (CID 58877383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).