CID 174032923

C20H36B — CID 174032923

IUPAC—
SMILESC=C([B]/C=C\C)C(CC)(CCC)CC/C(C)=C/CC(C)C
InChIInChI=1S/C20H36B/c1-8-14-20(10-3,19(7)21-16-9-2)15-13-18(6)12-11-17(4)5/h9,12,16-17H,7-8,10-11,13-15H2,1-6H3/b16-9-,18-12+
InChIKeyDNDMRPZJUPCSCO-YHGCOBMBSA-N
MW287.32 g/mol
LogP6.71
Rot. Bonds11

About CID 174032923

CID 174032923 (PubChem CID 174032923) has the molecular formula C20H36B and a molecular weight of 287.32 g/mol.

Molecular Properties

Compound NameCID 174032923
PubChem CID174032923
Molecular FormulaC20H36B
Molecular Weight287.32 g/mol
Exact Mass287.29
IUPAC Name—
SMILESC=C([B]/C=C\C)C(CC)(CCC)CC/C(C)=C/CC(C)C
InChIInChI=1S/C20H36B/c1-8-14-20(10-3,19(7)21-16-9-2)15-13-18(6)12-11-17(4)5/h9,12,16-17H,7-8,10-11,13-15H2,1-6H3/b16-9-,18-12+
InChIKeyDNDMRPZJUPCSCO-YHGCOBMBSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.32
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-3,6-dimethylhept-3-en-1-amine
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(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(E)-2,5,9-trimethylundec-4-ene
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3,3-diethylhex-1-en-2-ylsilane
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(Z)-4,7-dimethylnon-4-ene
CID 143531390
(5E,9E)-N-tert-butyl-5,9,12-trimethyltrideca-5,9-dien-2-imine
CID 138650644
(6E,13E,17Z)-2,6,12,12,17,20-hexamethyl-9-methylidenehenicosa-2,6,13,17-tetraene
CID 58292421
2,5,9-trimethyl-8-propyldodec-5-ene
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(3E,5Z)-2,5-dimethylhepta-1,3,5-triene;3,3-dimethylhexane;ethane
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2,3,6-trimethylundec-5-ene
CID 123502967

Frequently Asked Questions

What is the IUPAC name of CID 174032923?
The IUPAC name of CID 174032923 (CID 174032923) is not available.
What is the SMILES notation for CID 174032923?
The canonical SMILES for CID 174032923 is C=C([B]/C=C\C)C(CC)(CCC)CC/C(C)=C/CC(C)C.
What is the InChIKey of CID 174032923?
The InChIKey is DNDMRPZJUPCSCO-YHGCOBMBSA-N. The full InChI is InChI=1S/C20H36B/c1-8-14-20(10-3,19(7)21-16-9-2)15-13-18(6)12-11-17(4)5/h9,12,16-17H,7-8,10-11,13-15H2,1-6H3/b16-9-,18-12+.
What are the key properties of CID 174032923?
CID 174032923 has a molecular weight of 287.32 g/mol, XLogP of 6.71, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174032923 is sourced from PubChem (CID 174032923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).