3,4-dimethyl-6-methylsulfanylhept-1-ene

C10H20S — CID 138478335

IUPAC3,4-dimethyl-6-methylsulfanylhept-1-ene
SMILESC=CC(C)C(C)CC(C)SC
InChIInChI=1S/C10H20S/c1-6-8(2)9(3)7-10(4)11-5/h6,8-10H,1,7H2,2-5H3
InChIKeyAKHPRKNNYDKLKY-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.59
Rot. Bonds5

About 3,4-dimethyl-6-methylsulfanylhept-1-ene

3,4-dimethyl-6-methylsulfanylhept-1-ene (PubChem CID 138478335) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is 3,4-dimethyl-6-methylsulfanylhept-1-ene.

Molecular Properties

Compound Name3,4-dimethyl-6-methylsulfanylhept-1-ene
PubChem CID138478335
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Name3,4-dimethyl-6-methylsulfanylhept-1-ene
SMILESC=CC(C)C(C)CC(C)SC
InChIInChI=1S/C10H20S/c1-6-8(2)9(3)7-10(4)11-5/h6,8-10H,1,7H2,2-5H3
InChIKeyAKHPRKNNYDKLKY-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.59
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

6-Fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
CID 123687972
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
2-Butylsulfanyl-5-methyl-3-prop-2-enylselenolane
CID 134989037
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
2,2-ditert-butyl-3H-thiophene
CID 12386075
2,6-Dimethyl-8-methylsulfanyloct-2-ene
CID 18786829
3,4-Bis(ethenyl)hexane-2,5-dithiol
CID 20581910
1-Hex-5-enylsulfanyl-6-methylheptane
CID 23466487
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
4-Methyl-6-methylsulfanylhex-1-ene
CID 53759535
4-Ethyl-2-prop-2-enylthiane
CID 54118197

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-methylsulfanylhept-1-ene?
The IUPAC name of 3,4-dimethyl-6-methylsulfanylhept-1-ene (CID 138478335) is 3,4-dimethyl-6-methylsulfanylhept-1-ene.
What is the SMILES notation for 3,4-dimethyl-6-methylsulfanylhept-1-ene?
The canonical SMILES for 3,4-dimethyl-6-methylsulfanylhept-1-ene is C=CC(C)C(C)CC(C)SC.
What is the InChIKey of 3,4-dimethyl-6-methylsulfanylhept-1-ene?
The InChIKey is AKHPRKNNYDKLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c1-6-8(2)9(3)7-10(4)11-5/h6,8-10H,1,7H2,2-5H3.
What are the key properties of 3,4-dimethyl-6-methylsulfanylhept-1-ene?
3,4-dimethyl-6-methylsulfanylhept-1-ene has a molecular weight of 172.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-methylsulfanylhept-1-ene is sourced from PubChem (CID 138478335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).