6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne

C17H10O — CID 154263401

IUPAC6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne
SMILESCOc1ccc2c(c1)C#Cc1ccccc1C#C2
InChIInChI=1S/C17H10O/c1-18-17-11-10-15-7-6-13-4-2-3-5-14(13)8-9-16(15)12-17/h2-5,10-12H,1H3
InChIKeyWCOZAXCHRVXPQU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.81
Rot. Bonds1

About 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne

6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne (PubChem CID 154263401) has the molecular formula C17H10O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne.

Molecular Properties

Compound Name6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne
PubChem CID154263401
Molecular FormulaC17H10O
Molecular Weight230.27 g/mol
Exact Mass230.07
IUPAC Name6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne
SMILESCOc1ccc2c(c1)C#Cc1ccccc1C#C2
InChIInChI=1S/C17H10O/c1-18-17-11-10-15-7-6-13-4-2-3-5-14(13)8-9-16(15)12-17/h2-5,10-12H,1H3
InChIKeyWCOZAXCHRVXPQU-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-methoxy-2-methyl-1-(2-methylphenyl)benzene
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azane;1,3-dimethoxybenzene
CID 70210283
CID 172849383
CID 172849383
5-methoxy-2-methyl-1H-indene
CID 12616525
1,1'-biphenyl;1,4-dimethoxy-2-methylbenzene
CID 159369138
2-methoxy-6H-benzo[c]chromene
CID 10798586
7-methoxy-1-methyl-3-phenylnaphthalene
CID 53497213

Frequently Asked Questions

What is the IUPAC name of 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne?
The IUPAC name of 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne (CID 154263401) is 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne.
What is the SMILES notation for 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne?
The canonical SMILES for 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne is COc1ccc2c(c1)C#Cc1ccccc1C#C2.
What is the InChIKey of 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne?
The InChIKey is WCOZAXCHRVXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O/c1-18-17-11-10-15-7-6-13-4-2-3-5-14(13)8-9-16(15)12-17/h2-5,10-12H,1H3.
What are the key properties of 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne?
6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne has a molecular weight of 230.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxytricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaen-2,10-diyne is sourced from PubChem (CID 154263401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).