CID 160723056

C20H38O2 — CID 160723056

IUPAC—
SMILESC=CC.C=CC=C.C=CCC.CC=CC.CCCC.O=C=O
InChIInChI=1S/C4H10.2C4H8.C4H6.C3H6.CO2/c4*1-3-4-2;1-3-2;2-1-3/h3-4H2,1-2H3;3-4H,1-2H3;3H,1,4H2,2H3;3-4H,1-2H2;3H,1H2,2H3;
InChIKeyRTIUHYBRIPDTNM-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.94
Rot. Bonds3

About CID 160723056

CID 160723056 (PubChem CID 160723056) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol.

Molecular Properties

Compound NameCID 160723056
PubChem CID160723056
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name—
SMILESC=CC.C=CC=C.C=CCC.CC=CC.CCCC.O=C=O
InChIInChI=1S/C4H10.2C4H8.C4H6.C3H6.CO2/c4*1-3-4-2;1-3-2;2-1-3/h3-4H2,1-2H3;3-4H,1-2H3;3H,1,4H2,2H3;3-4H,1-2H2;3H,1H2,2H3;
InChIKeyRTIUHYBRIPDTNM-UHFFFAOYSA-N
XLogP6.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

but-1-ene;but-2-ene;prop-1-ene
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buta-1,3-diene;but-1-ene;prop-1-ene
CID 161064943
butane;bis(but-1-ene)
CID 160596310
but-1-ene;hex-1-ene;prop-1-ene
CID 86759030
butane;but-1-ene;ethane;methanamine
CID 145230806
CID 171377879
CID 171377879
acetaldehyde;carbon dioxide;prop-1-ene
CID 88717372
butane;ethane;propane;prop-1-ene
CID 143366707
butane;ethane;ethene;prop-1-ene
CID 144524801
but-1-ene;dihydrofluoride
CID 175726295
buta-1,3-diene;but-2-ene;methane
CID 161269069
but-1-ene;ethene
CID 19017343

Frequently Asked Questions

What is the IUPAC name of CID 160723056?
The IUPAC name of CID 160723056 (CID 160723056) is not available.
What is the SMILES notation for CID 160723056?
The canonical SMILES for CID 160723056 is C=CC.C=CC=C.C=CCC.CC=CC.CCCC.O=C=O.
What is the InChIKey of CID 160723056?
The InChIKey is RTIUHYBRIPDTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.2C4H8.C4H6.C3H6.CO2/c4*1-3-4-2;1-3-2;2-1-3/h3-4H2,1-2H3;3-4H,1-2H3;3H,1,4H2,2H3;3-4H,1-2H2;3H,1H2,2H3;.
What are the key properties of CID 160723056?
CID 160723056 has a molecular weight of 310.52 g/mol, XLogP of 6.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160723056 is sourced from PubChem (CID 160723056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).