ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene

C19H38S — CID 144509144

IUPACethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene
SMILESC/C=C(\C=C/CC)C(SC)C(C)(C)CC(C)(C)C.CC
InChIInChI=1S/C17H32S.C2H6/c1-9-11-12-14(10-2)15(18-8)17(6,7)13-16(3,4)5;1-2/h10-12,15H,9,13H2,1-8H3;1-2H3/b12-11-,14-10+;
InChIKeyHGPZOSGYVQBKIU-APCLUODLSA-N
MW298.58 g/mol
LogP7.12
Rot. Bonds6

About ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene

ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene (PubChem CID 144509144) has the molecular formula C19H38S and a molecular weight of 298.58 g/mol. Its IUPAC name is ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene.

Molecular Properties

Compound Nameethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene
PubChem CID144509144
Molecular FormulaC19H38S
Molecular Weight298.58 g/mol
Exact Mass298.27
IUPAC Nameethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene
SMILESC/C=C(\C=C/CC)C(SC)C(C)(C)CC(C)(C)C.CC
InChIInChI=1S/C17H32S.C2H6/c1-9-11-12-14(10-2)15(18-8)17(6,7)13-16(3,4)5;1-2/h10-12,15H,9,13H2,1-8H3;1-2H3/b12-11-,14-10+;
InChIKeyHGPZOSGYVQBKIU-APCLUODLSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.58
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene?
The IUPAC name of ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene (CID 144509144) is ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene.
What is the SMILES notation for ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene?
The canonical SMILES for ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene is C/C=C(\C=C/CC)C(SC)C(C)(C)CC(C)(C)C.CC.
What is the InChIKey of ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene?
The InChIKey is HGPZOSGYVQBKIU-APCLUODLSA-N. The full InChI is InChI=1S/C17H32S.C2H6/c1-9-11-12-14(10-2)15(18-8)17(6,7)13-16(3,4)5;1-2/h10-12,15H,9,13H2,1-8H3;1-2H3/b12-11-,14-10+;.
What are the key properties of ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene?
ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene has a molecular weight of 298.58 g/mol, XLogP of 7.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z,5E)-5-ethylidene-7,7,9,9-tetramethyl-6-methylsulfanyldec-3-ene is sourced from PubChem (CID 144509144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).