2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane

C17H34S — CID 59440411

IUPAC2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane
SMILESC=C(CC)C(C)(C)C(C)(CCC)CC(C)(C)SC
InChIInChI=1S/C17H34S/c1-10-12-17(8,13-15(4,5)18-9)16(6,7)14(3)11-2/h3,10-13H2,1-2,4-9H3
InChIKeyAPVMQQVONZQMLG-UHFFFAOYSA-N
MW270.53 g/mol
LogP6.32
Rot. Bonds8

About 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane

2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane (PubChem CID 59440411) has the molecular formula C17H34S and a molecular weight of 270.53 g/mol. Its IUPAC name is 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane.

Molecular Properties

Compound Name2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane
PubChem CID59440411
Molecular FormulaC17H34S
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Name2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane
SMILESC=C(CC)C(C)(C)C(C)(CCC)CC(C)(C)SC
InChIInChI=1S/C17H34S/c1-10-12-17(8,13-15(4,5)18-9)16(6,7)14(3)11-2/h3,10-13H2,1-2,4-9H3
InChIKeyAPVMQQVONZQMLG-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane?
The IUPAC name of 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane (CID 59440411) is 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane.
What is the SMILES notation for 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane?
The canonical SMILES for 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane is C=C(CC)C(C)(C)C(C)(CCC)CC(C)(C)SC.
What is the InChIKey of 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane?
The InChIKey is APVMQQVONZQMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34S/c1-10-12-17(8,13-15(4,5)18-9)16(6,7)14(3)11-2/h3,10-13H2,1-2,4-9H3.
What are the key properties of 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane?
2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane has a molecular weight of 270.53 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,5-tetramethyl-6-methylidene-2-methylsulfanyl-4-propyloctane is sourced from PubChem (CID 59440411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).