1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene

C12H16S — CID 10035490

IUPAC1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene
SMILESC#CCSC1CCCC(C=C)=C1C
InChIInChI=1S/C12H16S/c1-4-9-13-12-8-6-7-11(5-2)10(12)3/h1,5,12H,2,6-9H2,3H3
InChIKeyDLNLUSQEKZMSCA-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.41
Rot. Bonds3

About 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene

1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene (PubChem CID 10035490) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene.

Molecular Properties

Compound Name1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene
PubChem CID10035490
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene
SMILESC#CCSC1CCCC(C=C)=C1C
InChIInChI=1S/C12H16S/c1-4-9-13-12-8-6-7-11(5-2)10(12)3/h1,5,12H,2,6-9H2,3H3
InChIKeyDLNLUSQEKZMSCA-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-Pentylsulfanylethenyl)cyclohexene
CID 46909681
2-[(3E)-4-methylhexa-3,5-dienyl]-2-prop-2-ynyl-1,3-dithiane
CID 134890629
6-Ethenyl-8-prop-2-ynylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 10015873
1-Ethenyl-2,5,5-trimethyl-3-prop-2-ynylsulfanylcyclohexene
CID 10036433
11-Ethenyl-10-methyl-9-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-10-ene
CID 10040247
9-Ethenyl-10-methyl-11-prop-2-ynylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
CID 10334755
9-Ethenyl-10-methyl-11-propa-1,2-dienylsulfanyl-1,5-dithiaspiro[5.5]undec-9-ene
CID 10402341
1-Ethenyl-5,5-dimethyl-3-prop-2-ynylsulfanylcyclohexene
CID 10442989
6-Ethenyl-7-methyl-8-propa-1,2-dienylsulfanyl-1,4-dithiaspiro[4.5]dec-6-ene
CID 10446528
5-[(E)-but-1-en-3-ynyl]-4,4,6-trimethyl-2,3-dihydrothiopyran
CID 21475324
5-But-1-en-3-ynyl-4,4,6-trimethyl-2,3-dihydrothiopyran
CID 54349819
2-hept-1-en-2-yl-2H-thiopyran
CID 68133414

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene?
The IUPAC name of 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene (CID 10035490) is 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene.
What is the SMILES notation for 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene?
The canonical SMILES for 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene is C#CCSC1CCCC(C=C)=C1C.
What is the InChIKey of 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene?
The InChIKey is DLNLUSQEKZMSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-4-9-13-12-8-6-7-11(5-2)10(12)3/h1,5,12H,2,6-9H2,3H3.
What are the key properties of 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene?
1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene has a molecular weight of 192.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-methyl-3-prop-2-ynylsulfanylcyclohexene is sourced from PubChem (CID 10035490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).