(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane

C13H26S — CID 126670461

IUPAC(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane
SMILESC=CC(=C)CCC(C)(C)CS(C)(C)C
InChIInChI=1S/C13H26S/c1-8-12(2)9-10-13(3,4)11-14(5,6)7/h8H,1-2,9-11H2,3-7H3
InChIKeyYERWBTQMIGWZPN-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.23
Rot. Bonds6

About (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane

(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane (PubChem CID 126670461) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane.

Molecular Properties

Compound Name(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane
PubChem CID126670461
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane
SMILESC=CC(=C)CCC(C)(C)CS(C)(C)C
InChIInChI=1S/C13H26S/c1-8-12(2)9-10-13(3,4)11-14(5,6)7/h8H,1-2,9-11H2,3-7H3
InChIKeyYERWBTQMIGWZPN-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane?
The IUPAC name of (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane (CID 126670461) is (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane.
What is the SMILES notation for (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane?
The canonical SMILES for (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane is C=CC(=C)CCC(C)(C)CS(C)(C)C.
What is the InChIKey of (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane?
The InChIKey is YERWBTQMIGWZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-8-12(2)9-10-13(3,4)11-14(5,6)7/h8H,1-2,9-11H2,3-7H3.
What are the key properties of (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane?
(2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane has a molecular weight of 214.42 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-5-methylidenehept-6-enyl)-trimethyl-λ4-sulfane is sourced from PubChem (CID 126670461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).