(6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne

C16H20 — CID 134995066

IUPAC(6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne
SMILESC1#CCC2CCCC(CC#CC/C=C\C1)C2
InChIInChI=1S/C16H20/c1-2-4-6-8-11-16-13-9-12-15(14-16)10-7-5-3-1/h1-2,15-16H,3-4,9-14H2/b2-1-
InChIKeySVISSJDRLANZLM-UPHRSURJSA-N
MW212.34 g/mol
LogP3.93
Rot. Bonds

About (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne

(6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne (PubChem CID 134995066) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne.

Molecular Properties

Compound Name(6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne
PubChem CID134995066
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name(6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne
SMILESC1#CCC2CCCC(CC#CC/C=C\C1)C2
InChIInChI=1S/C16H20/c1-2-4-6-8-11-16-13-9-12-15(14-16)10-7-5-3-1/h1-2,15-16H,3-4,9-14H2/b2-1-
InChIKeySVISSJDRLANZLM-UPHRSURJSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne?
The IUPAC name of (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne (CID 134995066) is (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne.
What is the SMILES notation for (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne?
The canonical SMILES for (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne is C1#CCC2CCCC(CC#CC/C=C\C1)C2.
What is the InChIKey of (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne?
The InChIKey is SVISSJDRLANZLM-UPHRSURJSA-N. The full InChI is InChI=1S/C16H20/c1-2-4-6-8-11-16-13-9-12-15(14-16)10-7-5-3-1/h1-2,15-16H,3-4,9-14H2/b2-1-.
What are the key properties of (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne?
(6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne has a molecular weight of 212.34 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-bicyclo[10.3.1]hexadec-6-en-3,9-diyne is sourced from PubChem (CID 134995066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).