(5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran

C11H18S — CID 58718713

IUPAC(5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran
SMILESCC1=C/C(=C(\C)C(C)C)CSC1
InChIInChI=1S/C11H18S/c1-8(2)10(4)11-5-9(3)6-12-7-11/h5,8H,6-7H2,1-4H3/b11-10-
InChIKeyMLUIGBWOFKUFSJ-KHPPLWFESA-N
MW182.33 g/mol
LogP3.65
Rot. Bonds1

About (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran

(5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran (PubChem CID 58718713) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran.

Molecular Properties

Compound Name(5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran
PubChem CID58718713
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name(5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran
SMILESCC1=C/C(=C(\C)C(C)C)CSC1
InChIInChI=1S/C11H18S/c1-8(2)10(4)11-5-9(3)6-12-7-11/h5,8H,6-7H2,1-4H3/b11-10-
InChIKeyMLUIGBWOFKUFSJ-KHPPLWFESA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran?
The IUPAC name of (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran (CID 58718713) is (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran.
What is the SMILES notation for (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran?
The canonical SMILES for (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran is CC1=C/C(=C(\C)C(C)C)CSC1.
What is the InChIKey of (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran?
The InChIKey is MLUIGBWOFKUFSJ-KHPPLWFESA-N. The full InChI is InChI=1S/C11H18S/c1-8(2)10(4)11-5-9(3)6-12-7-11/h5,8H,6-7H2,1-4H3/b11-10-.
What are the key properties of (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran?
(5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran has a molecular weight of 182.33 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-5-(3-methylbutan-2-ylidene)-2H-thiopyran is sourced from PubChem (CID 58718713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).