(5R)-3-ethyl-5-methylsulfanylhept-1-ene

C10H20S — CID 122468880

IUPAC(5R)-3-ethyl-5-methylsulfanylhept-1-ene
SMILESC=CC(CC)C[C@@H](CC)SC
InChIInChI=1S/C10H20S/c1-5-9(6-2)8-10(7-3)11-4/h5,9-10H,1,6-8H2,2-4H3/t9?,10-/m1/s1
InChIKeyKRWIUFAEQSUQTR-QVDQXJPCSA-N
MW172.34 g/mol
LogP3.73
Rot. Bonds6

About (5R)-3-ethyl-5-methylsulfanylhept-1-ene

(5R)-3-ethyl-5-methylsulfanylhept-1-ene (PubChem CID 122468880) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is (5R)-3-ethyl-5-methylsulfanylhept-1-ene.

Molecular Properties

Compound Name(5R)-3-ethyl-5-methylsulfanylhept-1-ene
PubChem CID122468880
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name(5R)-3-ethyl-5-methylsulfanylhept-1-ene
SMILESC=CC(CC)C[C@@H](CC)SC
InChIInChI=1S/C10H20S/c1-5-9(6-2)8-10(7-3)11-4/h5,9-10H,1,6-8H2,2-4H3/t9?,10-/m1/s1
InChIKeyKRWIUFAEQSUQTR-QVDQXJPCSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-methylsulfanyl-5-propan-2-ylsulfanyl-4-prop-1-en-2-ylocta-1,7-diene
CID 13610908
1-Pentylsulfanylethenylcyclohexane
CID 58150596
1-Methylsulfanylethenylcyclohexane
CID 85970191
[(E)-2-methylsulfanylethenyl]cyclohexane
CID 134986023
6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
(E)-1-butylsulfanyloct-1-ene
CID 13468729
5-Heptan-3-yl-2,3-dihydrothiophene
CID 100984300
2-Butyl-4-pentenethiol
CID 129783071
[(E)-2-(2-methylpropylsulfanyl)-2-methylselanylethenyl]cyclohexane
CID 134923117
[(Z)-2-methylsulfanylethenyl]cyclohexane
CID 134933564
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226

Frequently Asked Questions

What is the IUPAC name of (5R)-3-ethyl-5-methylsulfanylhept-1-ene?
The IUPAC name of (5R)-3-ethyl-5-methylsulfanylhept-1-ene (CID 122468880) is (5R)-3-ethyl-5-methylsulfanylhept-1-ene.
What is the SMILES notation for (5R)-3-ethyl-5-methylsulfanylhept-1-ene?
The canonical SMILES for (5R)-3-ethyl-5-methylsulfanylhept-1-ene is C=CC(CC)C[C@@H](CC)SC.
What is the InChIKey of (5R)-3-ethyl-5-methylsulfanylhept-1-ene?
The InChIKey is KRWIUFAEQSUQTR-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H20S/c1-5-9(6-2)8-10(7-3)11-4/h5,9-10H,1,6-8H2,2-4H3/t9?,10-/m1/s1.
What are the key properties of (5R)-3-ethyl-5-methylsulfanylhept-1-ene?
(5R)-3-ethyl-5-methylsulfanylhept-1-ene has a molecular weight of 172.34 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-ethyl-5-methylsulfanylhept-1-ene is sourced from PubChem (CID 122468880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).