(Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane

C15H32S — CID 143588223

IUPAC(Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane
SMILESC/C=C(\S/C=C/CC)C(C)(C)C.CC.CC
InChIInChI=1S/C11H20S.2C2H6/c1-6-8-9-12-10(7-2)11(3,4)5;2*1-2/h7-9H,6H2,1-5H3;2*1-2H3/b9-8+,10-7-;;
InChIKeySKWAQXWIUMTAOK-SSOBFKOJSA-N
MW244.49 g/mol
LogP6.65
Rot. Bonds3

About (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane

(Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane (PubChem CID 143588223) has the molecular formula C15H32S and a molecular weight of 244.49 g/mol. Its IUPAC name is (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane.

Molecular Properties

Compound Name(Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane
PubChem CID143588223
Molecular FormulaC15H32S
Molecular Weight244.49 g/mol
Exact Mass244.22
IUPAC Name(Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane
SMILESC/C=C(\S/C=C/CC)C(C)(C)C.CC.CC
InChIInChI=1S/C11H20S.2C2H6/c1-6-8-9-12-10(7-2)11(3,4)5;2*1-2/h7-9H,6H2,1-5H3;2*1-2H3/b9-8+,10-7-;;
InChIKeySKWAQXWIUMTAOK-SSOBFKOJSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.49
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane?
The IUPAC name of (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane (CID 143588223) is (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane.
What is the SMILES notation for (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane?
The canonical SMILES for (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane is C/C=C(\S/C=C/CC)C(C)(C)C.CC.CC.
What is the InChIKey of (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane?
The InChIKey is SKWAQXWIUMTAOK-SSOBFKOJSA-N. The full InChI is InChI=1S/C11H20S.2C2H6/c1-6-8-9-12-10(7-2)11(3,4)5;2*1-2/h7-9H,6H2,1-5H3;2*1-2H3/b9-8+,10-7-;;.
What are the key properties of (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane?
(Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane has a molecular weight of 244.49 g/mol, XLogP of 6.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(E)-but-1-enyl]sulfanyl-4,4-dimethylpent-2-ene;ethane is sourced from PubChem (CID 143588223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).