CID 173494715

C12H20B2 — CID 173494715

IUPAC—
SMILES[B]CCCC/C=C\C=C/CCCC[B]
InChIInChI=1S/C12H20B2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-4H,5-12H2/b3-1-,4-2-
InChIKeyVPQWSYMUAFTZSN-CCAGOZQPSA-N
MW185.92 g/mol
LogP3.61
Rot. Bonds9

About CID 173494715

CID 173494715 (PubChem CID 173494715) has the molecular formula C12H20B2 and a molecular weight of 185.92 g/mol.

Molecular Properties

Compound NameCID 173494715
PubChem CID173494715
Molecular FormulaC12H20B2
Molecular Weight185.92 g/mol
Exact Mass186.18
IUPAC Name—
SMILES[B]CCCC/C=C\C=C/CCCC[B]
InChIInChI=1S/C12H20B2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-4H,5-12H2/b3-1-,4-2-
InChIKeyVPQWSYMUAFTZSN-CCAGOZQPSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.92
LogP ≤ 53.61
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(22E)-heptatetraconta-22,24-diene
CID 56629131
(4E,6E)-1,10-dichlorodeca-4,6-diene
CID 11310278
(5E,7E)-hexadeca-5,7-diene
CID 13032294
triaconta-9,17,19-trienedial
CID 54176799
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(6E)-octadeca-4,6-diene
CID 173243345
pentadeca-3,5,7,9-tetraene
CID 151958393
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
(3E,5Z,9Z)-pentadeca-3,5,9-triene
CID 90384035
13-chlorotrideca-3,5-diene
CID 168861620
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(2E,4E,6E)-dodeca-2,4,6-triene
CID 10975832

Frequently Asked Questions

What is the IUPAC name of CID 173494715?
The IUPAC name of CID 173494715 (CID 173494715) is not available.
What is the SMILES notation for CID 173494715?
The canonical SMILES for CID 173494715 is [B]CCCC/C=C\C=C/CCCC[B].
What is the InChIKey of CID 173494715?
The InChIKey is VPQWSYMUAFTZSN-CCAGOZQPSA-N. The full InChI is InChI=1S/C12H20B2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-4H,5-12H2/b3-1-,4-2-.
What are the key properties of CID 173494715?
CID 173494715 has a molecular weight of 185.92 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173494715 is sourced from PubChem (CID 173494715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).