CID 174004957

C20H35B — CID 174004957

IUPAC—
SMILES[B]C(C)(C)CC(/C=C/C#CC(CC)CCC(C)CC)CC
InChIInChI=1S/C20H35B/c1-7-17(4)14-15-18(8-2)12-10-11-13-19(9-3)16-20(5,6)21/h11,13,17-19H,7-9,14-16H2,1-6H3/b13-11+
InChIKeyFBTPMILIGAJHHY-ACCUITESSA-N
MW286.31 g/mol
LogP6.18
Rot. Bonds9

About CID 174004957

CID 174004957 (PubChem CID 174004957) has the molecular formula C20H35B and a molecular weight of 286.31 g/mol.

Molecular Properties

Compound NameCID 174004957
PubChem CID174004957
Molecular FormulaC20H35B
Molecular Weight286.31 g/mol
Exact Mass286.28
IUPAC Name—
SMILES[B]C(C)(C)CC(/C=C/C#CC(CC)CCC(C)CC)CC
InChIInChI=1S/C20H35B/c1-7-17(4)14-15-18(8-2)12-10-11-13-19(9-3)16-20(5,6)21/h11,13,17-19H,7-9,14-16H2,1-6H3/b13-11+
InChIKeyFBTPMILIGAJHHY-ACCUITESSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.31
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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cis-2-Methyl-7-octadecene
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CID 141995
Tetracosene, 2,6,10,15,19,23-hexamethyl-
CID 111339
(21-Methyl-8Z-pentatriacontene
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CID 537212
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CID 5471130
(E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene
CID 101024689
(6E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
CID 101024693
(2E,6E,9R)-6,14-dimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadeca-2,6-diene
CID 162882710

Frequently Asked Questions

What is the IUPAC name of CID 174004957?
The IUPAC name of CID 174004957 (CID 174004957) is not available.
What is the SMILES notation for CID 174004957?
The canonical SMILES for CID 174004957 is [B]C(C)(C)CC(/C=C/C#CC(CC)CCC(C)CC)CC.
What is the InChIKey of CID 174004957?
The InChIKey is FBTPMILIGAJHHY-ACCUITESSA-N. The full InChI is InChI=1S/C20H35B/c1-7-17(4)14-15-18(8-2)12-10-11-13-19(9-3)16-20(5,6)21/h11,13,17-19H,7-9,14-16H2,1-6H3/b13-11+.
What are the key properties of CID 174004957?
CID 174004957 has a molecular weight of 286.31 g/mol, XLogP of 6.18, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174004957 is sourced from PubChem (CID 174004957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).