dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane

C10H20S — CID 123535122

IUPACdimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane
SMILESC=C(C=CC)S(C)(C)CCC
InChIInChI=1S/C10H20S/c1-6-8-10(3)11(4,5)9-7-2/h6,8H,3,7,9H2,1-2,4-5H3
InChIKeyGCMMMJRQWVTZOO-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.55
Rot. Bonds4

About dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane

dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane (PubChem CID 123535122) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane
PubChem CID123535122
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Namedimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane
SMILESC=C(C=CC)S(C)(C)CCC
InChIInChI=1S/C10H20S/c1-6-8-10(3)11(4,5)9-7-2/h6,8H,3,7,9H2,1-2,4-5H3
InChIKeyGCMMMJRQWVTZOO-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.55
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 dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane?
The IUPAC name of dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane (CID 123535122) is dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane.
What is the SMILES notation for dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane?
The canonical SMILES for dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane is C=C(C=CC)S(C)(C)CCC.
What is the InChIKey of dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane?
The InChIKey is GCMMMJRQWVTZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-6-8-10(3)11(4,5)9-7-2/h6,8H,3,7,9H2,1-2,4-5H3.
What are the key properties of dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane?
dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane has a molecular weight of 172.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-penta-1,3-dien-2-yl-propyl-λ4-sulfane is sourced from PubChem (CID 123535122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).