4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene

C16H28 — CID 123873270

IUPAC4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene
SMILESC=CC(=C)C(C)(C)CCC=C(C)C(C)(C)C
InChIInChI=1S/C16H28/c1-9-13(2)16(7,8)12-10-11-14(3)15(4,5)6/h9,11H,1-2,10,12H2,3-8H3
InChIKeyAEZACXFXWNIOMK-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.53
Rot. Bonds5

About 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene

4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene (PubChem CID 123873270) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene.

Molecular Properties

Compound Name4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene
PubChem CID123873270
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene
SMILESC=CC(=C)C(C)(C)CCC=C(C)C(C)(C)C
InChIInChI=1S/C16H28/c1-9-13(2)16(7,8)12-10-11-14(3)15(4,5)6/h9,11H,1-2,10,12H2,3-8H3
InChIKeyAEZACXFXWNIOMK-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene?
The IUPAC name of 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene (CID 123873270) is 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene.
What is the SMILES notation for 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene?
The canonical SMILES for 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene is C=CC(=C)C(C)(C)CCC=C(C)C(C)(C)C.
What is the InChIKey of 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene?
The InChIKey is AEZACXFXWNIOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-9-13(2)16(7,8)12-10-11-14(3)15(4,5)6/h9,11H,1-2,10,12H2,3-8H3.
What are the key properties of 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene?
4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene has a molecular weight of 220.40 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,9,9-pentamethyl-3-methylidenedeca-1,7-diene is sourced from PubChem (CID 123873270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).