(3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal

C17H30O — CID 11107778

IUPAC(3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal
SMILESCC/C(C)=C\CC/C(C)=C/C[C@@H](C)[C@@H](C)CC=O
InChIInChI=1S/C17H30O/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,13,16-17H,6-7,9,11-12H2,1-5H3/b14-8-,15-10+/t16-,17+/m1/s1
InChIKeyRXBWBMXVYZIXDB-CMRHPFDRSA-N
MW250.43 g/mol
LogP5.32
Rot. Bonds9

About (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal

(3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal (PubChem CID 11107778) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal.

Molecular Properties

Compound Name(3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal
PubChem CID11107778
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name(3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal
SMILESCC/C(C)=C\CC/C(C)=C/C[C@@H](C)[C@@H](C)CC=O
InChIInChI=1S/C17H30O/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,13,16-17H,6-7,9,11-12H2,1-5H3/b14-8-,15-10+/t16-,17+/m1/s1
InChIKeyRXBWBMXVYZIXDB-CMRHPFDRSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal?
The IUPAC name of (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal (CID 11107778) is (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal.
What is the SMILES notation for (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal?
The canonical SMILES for (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal is CC/C(C)=C\CC/C(C)=C/C[C@@H](C)[C@@H](C)CC=O.
What is the InChIKey of (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal?
The InChIKey is RXBWBMXVYZIXDB-CMRHPFDRSA-N. The full InChI is InChI=1S/C17H30O/c1-6-14(2)8-7-9-15(3)10-11-16(4)17(5)12-13-18/h8,10,13,16-17H,6-7,9,11-12H2,1-5H3/b14-8-,15-10+/t16-,17+/m1/s1.
What are the key properties of (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal?
(3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal has a molecular weight of 250.43 g/mol, XLogP of 5.32, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6E,10Z)-3,4,7,11-tetramethyltrideca-6,10-dienal is sourced from PubChem (CID 11107778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).