CID 177444269

C17H25O — CID 177444269

IUPAC—
SMILES[CH2]/C(C)=C\CC/C(C)=C/CC/C(C)=C/C(=O)C=C
InChIInChI=1S/C17H25O/c1-6-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h6,9,11,13H,1-2,7-8,10,12H2,3-5H3/b14-9+,15-11+,16-13+
InChIKeyRUFUGSQQGJXMBH-HXMFGCACSA-N
MW245.39 g/mol
LogP4.97
Rot. Bonds8

About CID 177444269

CID 177444269 (PubChem CID 177444269) has the molecular formula C17H25O and a molecular weight of 245.39 g/mol.

Molecular Properties

Compound NameCID 177444269
PubChem CID177444269
Molecular FormulaC17H25O
Molecular Weight245.39 g/mol
Exact Mass245.19
IUPAC Name—
SMILES[CH2]/C(C)=C\CC/C(C)=C/CC/C(C)=C/C(=O)C=C
InChIInChI=1S/C17H25O/c1-6-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h6,9,11,13H,1-2,7-8,10,12H2,3-5H3/b14-9+,15-11+,16-13+
InChIKeyRUFUGSQQGJXMBH-HXMFGCACSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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3,7,11-trimethyldodeca-2,6,10-trienoyl chloride
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Frequently Asked Questions

What is the IUPAC name of CID 177444269?
The IUPAC name of CID 177444269 (CID 177444269) is not available.
What is the SMILES notation for CID 177444269?
The canonical SMILES for CID 177444269 is [CH2]/C(C)=C\CC/C(C)=C/CC/C(C)=C/C(=O)C=C.
What is the InChIKey of CID 177444269?
The InChIKey is RUFUGSQQGJXMBH-HXMFGCACSA-N. The full InChI is InChI=1S/C17H25O/c1-6-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h6,9,11,13H,1-2,7-8,10,12H2,3-5H3/b14-9+,15-11+,16-13+.
What are the key properties of CID 177444269?
CID 177444269 has a molecular weight of 245.39 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177444269 is sourced from PubChem (CID 177444269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).