CID 143352941

C19H37O — CID 143352941

IUPAC—
SMILESC=CC=C.CC.CC.[CH2]C(C)(/C=C/CCC(C)=O)CC
InChIInChI=1S/C11H19O.C4H6.2C2H6/c1-5-11(3,4)9-7-6-8-10(2)12;1-3-4-2;2*1-2/h7,9H,3,5-6,8H2,1-2,4H3;3-4H,1-2H2;2*1-2H3/b9-7+;;;
InChIKeyKHWCOESRTKGCPZ-UVUKSMQLSA-N
MW281.50 g/mol
LogP6.57
Rot. Bonds6

About CID 143352941

CID 143352941 (PubChem CID 143352941) has the molecular formula C19H37O and a molecular weight of 281.50 g/mol.

Molecular Properties

Compound NameCID 143352941
PubChem CID143352941
Molecular FormulaC19H37O
Molecular Weight281.50 g/mol
Exact Mass281.28
IUPAC Name—
SMILESC=CC=C.CC.CC.[CH2]C(C)(/C=C/CCC(C)=O)CC
InChIInChI=1S/C11H19O.C4H6.2C2H6/c1-5-11(3,4)9-7-6-8-10(2)12;1-3-4-2;2*1-2/h7,9H,3,5-6,8H2,1-2,4H3;3-4H,1-2H2;2*1-2H3/b9-7+;;;
InChIKeyKHWCOESRTKGCPZ-UVUKSMQLSA-N
XLogP6.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.50
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 143352941?
The IUPAC name of CID 143352941 (CID 143352941) is not available.
What is the SMILES notation for CID 143352941?
The canonical SMILES for CID 143352941 is C=CC=C.CC.CC.[CH2]C(C)(/C=C/CCC(C)=O)CC.
What is the InChIKey of CID 143352941?
The InChIKey is KHWCOESRTKGCPZ-UVUKSMQLSA-N. The full InChI is InChI=1S/C11H19O.C4H6.2C2H6/c1-5-11(3,4)9-7-6-8-10(2)12;1-3-4-2;2*1-2/h7,9H,3,5-6,8H2,1-2,4H3;3-4H,1-2H2;2*1-2H3/b9-7+;;;.
What are the key properties of CID 143352941?
CID 143352941 has a molecular weight of 281.50 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143352941 is sourced from PubChem (CID 143352941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).