(3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane

C12H22S — CID 155276650

IUPAC(3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane
SMILESC/C=C1\C(SC(C)C)CC(C)C1C
InChIInChI=1S/C12H22S/c1-6-11-10(5)9(4)7-12(11)13-8(2)3/h6,8-10,12H,7H2,1-5H3/b11-6-
InChIKeyQFGXOPJBROHNOQ-WDZFZDKYSA-N
MW198.38 g/mol
LogP4.12
Rot. Bonds2

About (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane

(3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane (PubChem CID 155276650) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane
PubChem CID155276650
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name(3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane
SMILESC/C=C1\C(SC(C)C)CC(C)C1C
InChIInChI=1S/C12H22S/c1-6-11-10(5)9(4)7-12(11)13-8(2)3/h6,8-10,12H,7H2,1-5H3/b11-6-
InChIKeyQFGXOPJBROHNOQ-WDZFZDKYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 54.12
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

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2-[(E)-2-[2-[(E)-but-1-enyl]cyclopentyl]ethenyl]thiolane
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3-Butyl-5-ethyl-2-methyl-2,3-dihydrothiophene
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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane?
The IUPAC name of (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane (CID 155276650) is (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane.
What is the SMILES notation for (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane?
The canonical SMILES for (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane is C/C=C1\C(SC(C)C)CC(C)C1C.
What is the InChIKey of (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane?
The InChIKey is QFGXOPJBROHNOQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H22S/c1-6-11-10(5)9(4)7-12(11)13-8(2)3/h6,8-10,12H,7H2,1-5H3/b11-6-.
What are the key properties of (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane?
(3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane has a molecular weight of 198.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1,2-dimethyl-4-propan-2-ylsulfanylcyclopentane is sourced from PubChem (CID 155276650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).