(2Z)-7-methylnona-2,8-diene-2-thiol

C10H18S — CID 129307226

IUPAC(2Z)-7-methylnona-2,8-diene-2-thiol
SMILESC=CC(C)CCC/C=C(/C)S
InChIInChI=1S/C10H18S/c1-4-9(2)7-5-6-8-10(3)11/h4,8-9,11H,1,5-7H2,2-3H3/b10-8-
InChIKeyGGBPRKSREJKHAQ-NTMALXAHSA-N
MW170.32 g/mol
LogP3.81
Rot. Bonds5

About (2Z)-7-methylnona-2,8-diene-2-thiol

(2Z)-7-methylnona-2,8-diene-2-thiol (PubChem CID 129307226) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (2Z)-7-methylnona-2,8-diene-2-thiol.

Molecular Properties

Compound Name(2Z)-7-methylnona-2,8-diene-2-thiol
PubChem CID129307226
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(2Z)-7-methylnona-2,8-diene-2-thiol
SMILESC=CC(C)CCC/C=C(/C)S
InChIInChI=1S/C10H18S/c1-4-9(2)7-5-6-8-10(3)11/h4,8-9,11H,1,5-7H2,2-3H3/b10-8-
InChIKeyGGBPRKSREJKHAQ-NTMALXAHSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-7-methylnona-2,8-diene-2-thiol?
The IUPAC name of (2Z)-7-methylnona-2,8-diene-2-thiol (CID 129307226) is (2Z)-7-methylnona-2,8-diene-2-thiol.
What is the SMILES notation for (2Z)-7-methylnona-2,8-diene-2-thiol?
The canonical SMILES for (2Z)-7-methylnona-2,8-diene-2-thiol is C=CC(C)CCC/C=C(/C)S.
What is the InChIKey of (2Z)-7-methylnona-2,8-diene-2-thiol?
The InChIKey is GGBPRKSREJKHAQ-NTMALXAHSA-N. The full InChI is InChI=1S/C10H18S/c1-4-9(2)7-5-6-8-10(3)11/h4,8-9,11H,1,5-7H2,2-3H3/b10-8-.
What are the key properties of (2Z)-7-methylnona-2,8-diene-2-thiol?
(2Z)-7-methylnona-2,8-diene-2-thiol has a molecular weight of 170.32 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7-methylnona-2,8-diene-2-thiol is sourced from PubChem (CID 129307226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).