CID 134934613

C18H29BP — CID 134934613

IUPAC—
SMILESCCCCCC/C=C/P(c1ccccc1)C(C)(C)C.[B]
InChIInChI=1S/C18H29P.B/c1-5-6-7-8-9-13-16-19(18(2,3)4)17-14-11-10-12-15-17;/h10-16H,5-9H2,1-4H3;/b16-13+;
InChIKeyYXGZCMPDCQSJCZ-ZUQRMPMESA-N
MW287.22 g/mol
LogP5.70
Rot. Bonds7

About CID 134934613

CID 134934613 (PubChem CID 134934613) has the molecular formula C18H29BP and a molecular weight of 287.22 g/mol.

Molecular Properties

Compound NameCID 134934613
PubChem CID134934613
Molecular FormulaC18H29BP
Molecular Weight287.22 g/mol
Exact Mass287.21
IUPAC Name—
SMILESCCCCCC/C=C/P(c1ccccc1)C(C)(C)C.[B]
InChIInChI=1S/C18H29P.B/c1-5-6-7-8-9-13-16-19(18(2,3)4)17-14-11-10-12-15-17;/h10-16H,5-9H2,1-4H3;/b16-13+;
InChIKeyYXGZCMPDCQSJCZ-ZUQRMPMESA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.22
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hex-1-enyl(diphenyl)phosphane
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triphenyl-[(Z)-tetradec-7-enyl]phosphanium
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heptadec-4-enylbenzene
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[(Z)-heptadec-10-enyl]benzene
CID 175397737
decyl-non-1-enyl-phenylsilane
CID 154074646
benzyl-[(Z)-nonadec-1-enyl]-bis[(E)-nonadec-1-enyl]azanium
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Frequently Asked Questions

What is the IUPAC name of CID 134934613?
The IUPAC name of CID 134934613 (CID 134934613) is not available.
What is the SMILES notation for CID 134934613?
The canonical SMILES for CID 134934613 is CCCCCC/C=C/P(c1ccccc1)C(C)(C)C.[B].
What is the InChIKey of CID 134934613?
The InChIKey is YXGZCMPDCQSJCZ-ZUQRMPMESA-N. The full InChI is InChI=1S/C18H29P.B/c1-5-6-7-8-9-13-16-19(18(2,3)4)17-14-11-10-12-15-17;/h10-16H,5-9H2,1-4H3;/b16-13+;.
What are the key properties of CID 134934613?
CID 134934613 has a molecular weight of 287.22 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134934613 is sourced from PubChem (CID 134934613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).