(6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane

C11H18S — CID 126711010

IUPAC(6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane
SMILESC/C=C1\CC2CC1C(C)C(C)S2
InChIInChI=1S/C11H18S/c1-4-9-5-10-6-11(9)7(2)8(3)12-10/h4,7-8,10-11H,5-6H2,1-3H3/b9-4+
InChIKeyVMWAIPROCAMLBN-RUDMXATFSA-N
MW182.33 g/mol
LogP3.48
Rot. Bonds

About (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane

(6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane (PubChem CID 126711010) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane
PubChem CID126711010
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name(6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane
SMILESC/C=C1\CC2CC1C(C)C(C)S2
InChIInChI=1S/C11H18S/c1-4-9-5-10-6-11(9)7(2)8(3)12-10/h4,7-8,10-11H,5-6H2,1-3H3/b9-4+
InChIKeyVMWAIPROCAMLBN-RUDMXATFSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.48
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

4,7,7-Trimethyl-6-thiabicyclo[3.2.1]oct-3-ene
CID 110922
2-[(4S)-4-methylcyclohexen-1-yl]thiolane
CID 90274210
(1R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]oct-3-ene
CID 92279464
3-Bicyclo[3.2.1]oct-2-enylmethyl-methyl-methylidene-lambda4-sulfane
CID 123505173
13-Methyl-12-thiatricyclo[9.4.0.02,6]pentadeca-3,8,9-triene
CID 134372585
(4Z)-2-ethenyl-6-ethyl-3,5-dimethyl-4-propylidenethiepane
CID 139564611
ethane;3-[(E)-hex-2-en-3-yl]thiane
CID 144975700
(3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane
CID 155276650
(3S)-3-[(4S)-4,7-dimethylthiepan-3-yl]-2,2,4,6-tetramethyl-1lambda3-iodacyclohexa-4,6-diene
CID 163660604
3-[2-(2,6,6-Trimethylcyclohex-2-en-1-yl)ethyl]-2,5-dihydrothiophene
CID 164597145
(2R)-13-methyl-9-thiatricyclo[6.2.2.12,7]tridec-5-ene
CID 170228793
(3S,8S,9aR)-4-ethyl-3,8-dimethyl-1,3,4,5,5a,8,9,9a-octahydro-2-benzothiepine
CID 174002683

Frequently Asked Questions

What is the IUPAC name of (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane?
The IUPAC name of (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane (CID 126711010) is (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane.
What is the SMILES notation for (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane?
The canonical SMILES for (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane is C/C=C1\CC2CC1C(C)C(C)S2.
What is the InChIKey of (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane?
The InChIKey is VMWAIPROCAMLBN-RUDMXATFSA-N. The full InChI is InChI=1S/C11H18S/c1-4-9-5-10-6-11(9)7(2)8(3)12-10/h4,7-8,10-11H,5-6H2,1-3H3/b9-4+.
What are the key properties of (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane?
(6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane has a molecular weight of 182.33 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-ethylidene-3,4-dimethyl-2-thiabicyclo[3.2.1]octane is sourced from PubChem (CID 126711010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).