(8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate

C15H26O2 — CID 54308029

IUPAC(8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate
SMILESC=C(CC=CC(C)OC(=O)CC)CC(C)(C)C
InChIInChI=1S/C15H26O2/c1-7-14(16)17-13(3)10-8-9-12(2)11-15(4,5)6/h8,10,13H,2,7,9,11H2,1,3-6H3
InChIKeySIXMXVNXCDIWFV-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.27
Rot. Bonds6

About (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate

(8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate (PubChem CID 54308029) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate.

Molecular Properties

Compound Name(8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate
PubChem CID54308029
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate
SMILESC=C(CC=CC(C)OC(=O)CC)CC(C)(C)C
InChIInChI=1S/C15H26O2/c1-7-14(16)17-13(3)10-8-9-12(2)11-15(4,5)6/h8,10,13H,2,7,9,11H2,1,3-6H3
InChIKeySIXMXVNXCDIWFV-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate?
The IUPAC name of (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate (CID 54308029) is (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate.
What is the SMILES notation for (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate?
The canonical SMILES for (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate is C=C(CC=CC(C)OC(=O)CC)CC(C)(C)C.
What is the InChIKey of (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate?
The InChIKey is SIXMXVNXCDIWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-7-14(16)17-13(3)10-8-9-12(2)11-15(4,5)6/h8,10,13H,2,7,9,11H2,1,3-6H3.
What are the key properties of (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate?
(8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate has a molecular weight of 238.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8,8-dimethyl-6-methylidenenon-3-en-2-yl) propanoate is sourced from PubChem (CID 54308029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).