(2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene

C16H30 — CID 153404272

IUPAC(2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene
SMILESC/C=C(\C)CC(C)(C)C/C=C(\C)CC(C)C
InChIInChI=1S/C16H30/c1-8-14(4)12-16(6,7)10-9-15(5)11-13(2)3/h8-9,13H,10-12H2,1-7H3/b14-8+,15-9+
InChIKeyAAECEAVEXZOLPZ-VOMDNODZSA-N
MW222.42 g/mol
LogP5.75
Rot. Bonds6

About (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene

(2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene (PubChem CID 153404272) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene.

Molecular Properties

Compound Name(2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene
PubChem CID153404272
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name(2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene
SMILESC/C=C(\C)CC(C)(C)C/C=C(\C)CC(C)C
InChIInChI=1S/C16H30/c1-8-14(4)12-16(6,7)10-9-15(5)11-13(2)3/h8-9,13H,10-12H2,1-7H3/b14-8+,15-9+
InChIKeyAAECEAVEXZOLPZ-VOMDNODZSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene?
The IUPAC name of (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene (CID 153404272) is (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene.
What is the SMILES notation for (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene?
The canonical SMILES for (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene is C/C=C(\C)CC(C)(C)C/C=C(\C)CC(C)C.
What is the InChIKey of (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene?
The InChIKey is AAECEAVEXZOLPZ-VOMDNODZSA-N. The full InChI is InChI=1S/C16H30/c1-8-14(4)12-16(6,7)10-9-15(5)11-13(2)3/h8-9,13H,10-12H2,1-7H3/b14-8+,15-9+.
What are the key properties of (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene?
(2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene has a molecular weight of 222.42 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7E)-3,5,5,8,10-pentamethylundeca-2,7-diene is sourced from PubChem (CID 153404272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).