14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane

C17H25BO2 — CID 135556141

IUPAC14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane
SMILESC1=CC(B2OC3(CCCCC3)C3(CCCCC3)O2)=CC1
InChIInChI=1S/C17H25BO2/c1-5-11-16(12-6-1)17(13-7-2-8-14-17)20-18(19-16)15-9-3-4-10-15/h3,9-10H,1-2,4-8,11-14H2
InChIKeyYYRKJMJEVFBCIK-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.35
Rot. Bonds1

About 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane

14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane (PubChem CID 135556141) has the molecular formula C17H25BO2 and a molecular weight of 272.20 g/mol. Its IUPAC name is 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane.

Molecular Properties

Compound Name14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane
PubChem CID135556141
Molecular FormulaC17H25BO2
Molecular Weight272.20 g/mol
Exact Mass272.19
IUPAC Name14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane
SMILESC1=CC(B2OC3(CCCCC3)C3(CCCCC3)O2)=CC1
InChIInChI=1S/C17H25BO2/c1-5-11-16(12-6-1)17(13-7-2-8-14-17)20-18(19-16)15-9-3-4-10-15/h3,9-10H,1-2,4-8,11-14H2
InChIKeyYYRKJMJEVFBCIK-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane with MolForge

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Related Compounds

CID 173141588
CID 173141588
12-(3,4-dimethylphenyl)-11,13-dioxa-12-boradispiro[4.0.46.35]tridecane
CID 123941959
7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,9-dihydro-1,3-thiazonine
CID 123903940
2-cyclopenta-1,4-dien-1-yl-4-methyl-1,3,2-oxazaborolidine
CID 135556134
2-(1-propan-2-ylcyclopentyl)cyclopenta-1,3-diene
CID 87359254
4-ethyl-4,5,5-trimethyl-2-(4-methylidenecyclohexa-1,5-dien-1-yl)-1,3,2-dioxaborolane
CID 151417335
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-2,4-dien-1-ol
CID 150464617
11-oxadispiro[2.0.64.13]undecane
CID 24976266
1-cyclopenta-1,4-dien-1-ylthiolan-1-ium
CID 88581533
1-cyclopenta-1,4-dien-1-ylcyclopropan-1-ol
CID 163697301
2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-azepine
CID 156736954
4,4,5,5-tetramethyl-2-(1-oxaspiro[5.5]undec-9-en-9-yl)-1,3,2-dioxaborolane
CID 140813860

Frequently Asked Questions

What is the IUPAC name of 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane?
The IUPAC name of 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane (CID 135556141) is 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane.
What is the SMILES notation for 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane?
The canonical SMILES for 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane is C1=CC(B2OC3(CCCCC3)C3(CCCCC3)O2)=CC1.
What is the InChIKey of 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane?
The InChIKey is YYRKJMJEVFBCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BO2/c1-5-11-16(12-6-1)17(13-7-2-8-14-17)20-18(19-16)15-9-3-4-10-15/h3,9-10H,1-2,4-8,11-14H2.
What are the key properties of 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane?
14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane has a molecular weight of 272.20 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-cyclopenta-1,4-dien-1-yl-13,15-dioxa-14-boradispiro[5.0.57.36]pentadecane is sourced from PubChem (CID 135556141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).