9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene

C16H26S — CID 134402901

IUPAC9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene
SMILESC=C(C)CC(=C)CCCCC(=C)S/C(C)=C\C
InChIInChI=1S/C16H26S/c1-7-15(5)17-16(6)11-9-8-10-14(4)12-13(2)3/h7H,2,4,6,8-12H2,1,3,5H3/b15-7-
InChIKeyUYDRHLXLPCIBPB-CHHVJCJISA-N
MW250.45 g/mol
LogP6.24
Rot. Bonds9

About 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene

9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene (PubChem CID 134402901) has the molecular formula C16H26S and a molecular weight of 250.45 g/mol. Its IUPAC name is 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene.

Molecular Properties

Compound Name9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene
PubChem CID134402901
Molecular FormulaC16H26S
Molecular Weight250.45 g/mol
Exact Mass250.18
IUPAC Name9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene
SMILESC=C(C)CC(=C)CCCCC(=C)S/C(C)=C\C
InChIInChI=1S/C16H26S/c1-7-15(5)17-16(6)11-9-8-10-14(4)12-13(2)3/h7H,2,4,6,8-12H2,1,3,5H3/b15-7-
InChIKeyUYDRHLXLPCIBPB-CHHVJCJISA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.45
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene?
The IUPAC name of 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene (CID 134402901) is 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene.
What is the SMILES notation for 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene?
The canonical SMILES for 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene is C=C(C)CC(=C)CCCCC(=C)S/C(C)=C\C.
What is the InChIKey of 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene?
The InChIKey is UYDRHLXLPCIBPB-CHHVJCJISA-N. The full InChI is InChI=1S/C16H26S/c1-7-15(5)17-16(6)11-9-8-10-14(4)12-13(2)3/h7H,2,4,6,8-12H2,1,3,5H3/b15-7-.
What are the key properties of 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene?
9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene has a molecular weight of 250.45 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(Z)-but-2-en-2-yl]sulfanyl-2-methyl-4-methylidenedeca-1,9-diene is sourced from PubChem (CID 134402901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).