(6Z)-1-thiacyclodec-6-en-4,8-diyne

C9H8S — CID 15000587

IUPAC(6Z)-1-thiacyclodec-6-en-4,8-diyne
SMILESC1#CCCSCC#C/C=C\1
InChIInChI=1S/C9H8S/c1-2-4-6-8-10-9-7-5-3-1/h1-2H,7-9H2/b2-1-
InChIKeyLDLVPMSAPMXHCR-UPHRSURJSA-N
MW148.23 g/mol
LogP1.69
Rot. Bonds

About (6Z)-1-thiacyclodec-6-en-4,8-diyne

(6Z)-1-thiacyclodec-6-en-4,8-diyne (PubChem CID 15000587) has the molecular formula C9H8S and a molecular weight of 148.23 g/mol. Its IUPAC name is (6Z)-1-thiacyclodec-6-en-4,8-diyne.

Molecular Properties

Compound Name(6Z)-1-thiacyclodec-6-en-4,8-diyne
PubChem CID15000587
Molecular FormulaC9H8S
Molecular Weight148.23 g/mol
Exact Mass148.03
IUPAC Name(6Z)-1-thiacyclodec-6-en-4,8-diyne
SMILESC1#CCCSCC#C/C=C\1
InChIInChI=1S/C9H8S/c1-2-4-6-8-10-9-7-5-3-1/h1-2H,7-9H2/b2-1-
InChIKeyLDLVPMSAPMXHCR-UPHRSURJSA-N
XLogP1.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-1-thiacyclodec-6-en-4,8-diyne?
The IUPAC name of (6Z)-1-thiacyclodec-6-en-4,8-diyne (CID 15000587) is (6Z)-1-thiacyclodec-6-en-4,8-diyne.
What is the SMILES notation for (6Z)-1-thiacyclodec-6-en-4,8-diyne?
The canonical SMILES for (6Z)-1-thiacyclodec-6-en-4,8-diyne is C1#CCCSCC#C/C=C\1.
What is the InChIKey of (6Z)-1-thiacyclodec-6-en-4,8-diyne?
The InChIKey is LDLVPMSAPMXHCR-UPHRSURJSA-N. The full InChI is InChI=1S/C9H8S/c1-2-4-6-8-10-9-7-5-3-1/h1-2H,7-9H2/b2-1-.
What are the key properties of (6Z)-1-thiacyclodec-6-en-4,8-diyne?
(6Z)-1-thiacyclodec-6-en-4,8-diyne has a molecular weight of 148.23 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-1-thiacyclodec-6-en-4,8-diyne is sourced from PubChem (CID 15000587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).