1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane

C10H18S — CID 123416737

IUPAC1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane
SMILESC=C1CC1C(C)(CC)CSC
InChIInChI=1S/C10H18S/c1-5-10(3,7-11-4)9-6-8(9)2/h9H,2,5-7H2,1,3-4H3
InChIKeyVNABNOMDAVBTFS-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.34
Rot. Bonds4

About 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane

1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane (PubChem CID 123416737) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane
PubChem CID123416737
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane
SMILESC=C1CC1C(C)(CC)CSC
InChIInChI=1S/C10H18S/c1-5-10(3,7-11-4)9-6-8(9)2/h9H,2,5-7H2,1,3-4H3
InChIKeyVNABNOMDAVBTFS-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.34
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-[(2-Methyl-2-prop-1-en-2-ylcyclopropyl)methylidene]-1,3-dithiane
CID 10656883
3,4-Ditert-butyl-2,3-dihydrothiophene
CID 58778257
3-Butan-2-ylsulfanyl-2,4,4-trimethylhex-1-ene
CID 89226706
2-(Tert-butylsulfanylmethyl)-4-ethyl-4-methylhex-1-ene
CID 89228342
2,2,3,3,4-Pentamethylthiophene
CID 89296538
1-[1-(2-Methylbut-1-enylsulfanyl)ethyl]-2-propylcyclopropane
CID 90792255
1-Methyl-2-propan-2-yl-3-prop-1-en-2-yl-1-[3-(3,3,4-trimethylpentylsulfanyl)propyl]cyclopropane
CID 91337728
2-(2-Ethyl-4-methylsulfanylpent-1-enyl)-1,1-dimethylcyclopropane
CID 123289713
2-(2,3-Dimethylhept-1-en-4-yl)-2-methylthiirane
CID 123978996
(2R)-2-methyl-3-methylidene-1-propan-2-yl-1-propan-2-ylsulfanylcyclopropane
CID 124082327
2,3,3,4-Tetramethyl-4-methylsulfanylpent-1-ene
CID 126571701
5-Methyl-2-(methylsulfanylmethyl)-4-propan-2-ylhex-1-ene
CID 129131607

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane?
The IUPAC name of 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane (CID 123416737) is 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane.
What is the SMILES notation for 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane?
The canonical SMILES for 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane is C=C1CC1C(C)(CC)CSC.
What is the InChIKey of 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane?
The InChIKey is VNABNOMDAVBTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-5-10(3,7-11-4)9-6-8(9)2/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane?
1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane has a molecular weight of 170.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2-(2-methyl-1-methylsulfanylbutan-2-yl)cyclopropane is sourced from PubChem (CID 123416737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).