CID 142057030

C14H22NO — CID 142057030

IUPAC—
SMILES[CH2]/C(=C\C=C(\C)C=C)OCCN1CCCC1
InChIInChI=1S/C14H22NO/c1-4-13(2)7-8-14(3)16-12-11-15-9-5-6-10-15/h4,7-8H,1,3,5-6,9-12H2,2H3/b13-7-,14-8+
InChIKeyHOAJUCLSIPKDSR-MFUUIURDSA-N
MW220.34 g/mol
LogP2.95
Rot. Bonds6

About CID 142057030

CID 142057030 (PubChem CID 142057030) has the molecular formula C14H22NO and a molecular weight of 220.34 g/mol.

Molecular Properties

Compound NameCID 142057030
PubChem CID142057030
Molecular FormulaC14H22NO
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name—
SMILES[CH2]/C(=C\C=C(\C)C=C)OCCN1CCCC1
InChIInChI=1S/C14H22NO/c1-4-13(2)7-8-14(3)16-12-11-15-9-5-6-10-15/h4,7-8H,1,3,5-6,9-12H2,2H3/b13-7-,14-8+
InChIKeyHOAJUCLSIPKDSR-MFUUIURDSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 142057030?
The IUPAC name of CID 142057030 (CID 142057030) is not available.
What is the SMILES notation for CID 142057030?
The canonical SMILES for CID 142057030 is [CH2]/C(=C\C=C(\C)C=C)OCCN1CCCC1.
What is the InChIKey of CID 142057030?
The InChIKey is HOAJUCLSIPKDSR-MFUUIURDSA-N. The full InChI is InChI=1S/C14H22NO/c1-4-13(2)7-8-14(3)16-12-11-15-9-5-6-10-15/h4,7-8H,1,3,5-6,9-12H2,2H3/b13-7-,14-8+.
What are the key properties of CID 142057030?
CID 142057030 has a molecular weight of 220.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142057030 is sourced from PubChem (CID 142057030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).