dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane

C10H20S — CID 123156213

IUPACdimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane
SMILESCC=CC=CS(C)(C)C(C)C
InChIInChI=1S/C10H20S/c1-6-7-8-9-11(4,5)10(2)3/h6-10H,1-5H3
InChIKeyLJQOPUVEAZGIAH-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.55
Rot. Bonds3

About dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane

dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane (PubChem CID 123156213) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane
PubChem CID123156213
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Namedimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane
SMILESCC=CC=CS(C)(C)C(C)C
InChIInChI=1S/C10H20S/c1-6-7-8-9-11(4,5)10(2)3/h6-10H,1-5H3
InChIKeyLJQOPUVEAZGIAH-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Related Compounds

trans-1-(Methylthio)-2-butene
CID 5364390
Dicrotyl sulfide
CID 10964626
1-[(But-2-en-1-yl)sulfanyl]but-2-ene
CID 53837915
trans-1-(t-Butylthio)-2-butene
CID 5462748
(3E,5E,7Z)-7-methylsulfanyltrideca-1,3,5,7-tetraen-9,11-diyne
CID 101416374
7-Methylsulfanyltrideca-1,3,5,7-tetraen-9,11-diyne
CID 162977268
1,3-Butadiene, 1-(ethylthio)-
CID 5367926
1,3-Butadiene, 1-[(1-methylethyl)thio]-, (E)-
CID 5367963
Methyl crotyl sulfide
CID 138110
2-Butenyl t-butyl sulfide
CID 145445
1,4-Bis(tert-butylsulfanyl)buta-1,3-diene
CID 10800202
(1Z)-1-ethylsulfanylbuta-1,3-diene
CID 12385658

Frequently Asked Questions

What is the IUPAC name of dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane?
The IUPAC name of dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane (CID 123156213) is dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane.
What is the SMILES notation for dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane?
The canonical SMILES for dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane is CC=CC=CS(C)(C)C(C)C.
What is the InChIKey of dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane?
The InChIKey is LJQOPUVEAZGIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-6-7-8-9-11(4,5)10(2)3/h6-10H,1-5H3.
What are the key properties of dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane?
dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane has a molecular weight of 172.34 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-penta-1,3-dienyl-propan-2-yl-λ4-sulfane is sourced from PubChem (CID 123156213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).