8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane

C22H44S — CID 134443444

IUPAC8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane
SMILESC=C(CCCCCCSC(CC(C)C)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H44S/c1-18(2)16-20(17-21(4,5)6)23-15-13-11-10-12-14-19(3)22(7,8)9/h18,20H,3,10-17H2,1-2,4-9H3
InChIKeyTZUPTQZFJBUEOW-UHFFFAOYSA-N
MW340.66 g/mol
LogP8.12
Rot. Bonds11

About 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane

8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane (PubChem CID 134443444) has the molecular formula C22H44S and a molecular weight of 340.66 g/mol. Its IUPAC name is 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane.

Molecular Properties

Compound Name8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane
PubChem CID134443444
Molecular FormulaC22H44S
Molecular Weight340.66 g/mol
Exact Mass340.32
IUPAC Name8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane
SMILESC=C(CCCCCCSC(CC(C)C)CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H44S/c1-18(2)16-20(17-21(4,5)6)23-15-13-11-10-12-14-19(3)22(7,8)9/h18,20H,3,10-17H2,1-2,4-9H3
InChIKeyTZUPTQZFJBUEOW-UHFFFAOYSA-N
XLogP8.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.66
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane?
The IUPAC name of 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane (CID 134443444) is 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane.
What is the SMILES notation for 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane?
The canonical SMILES for 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane is C=C(CCCCCCSC(CC(C)C)CC(C)(C)C)C(C)(C)C.
What is the InChIKey of 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane?
The InChIKey is TZUPTQZFJBUEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44S/c1-18(2)16-20(17-21(4,5)6)23-15-13-11-10-12-14-19(3)22(7,8)9/h18,20H,3,10-17H2,1-2,4-9H3.
What are the key properties of 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane?
8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane has a molecular weight of 340.66 g/mol, XLogP of 8.12, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7-methylidene-1-(2,2,6-trimethylheptan-4-ylsulfanyl)nonane is sourced from PubChem (CID 134443444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).