7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one

C15H24O3 — CID 11043250

IUPAC7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one
SMILESC=CCC(CC#CC(=O)C(C)C)(COC)COC
InChIInChI=1S/C15H24O3/c1-6-9-15(11-17-4,12-18-5)10-7-8-14(16)13(2)3/h6,13H,1,9-12H2,2-5H3
InChIKeyMAWKJYCPTGZHLN-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.46
Rot. Bonds8

About 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one

7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one (PubChem CID 11043250) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one.

Molecular Properties

Compound Name7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one
PubChem CID11043250
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one
SMILESC=CCC(CC#CC(=O)C(C)C)(COC)COC
InChIInChI=1S/C15H24O3/c1-6-9-15(11-17-4,12-18-5)10-7-8-14(16)13(2)3/h6,13H,1,9-12H2,2-5H3
InChIKeyMAWKJYCPTGZHLN-UHFFFAOYSA-N
XLogP2.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4,4-Bis(methoxymethyl)oct-1-en-6-yne
CID 101229212
Methyl 2,2,7,7-tetramethyl-6-oxodec-9-en-4-ynoate
CID 10083468

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one?
The IUPAC name of 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one (CID 11043250) is 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one.
What is the SMILES notation for 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one?
The canonical SMILES for 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one is C=CCC(CC#CC(=O)C(C)C)(COC)COC.
What is the InChIKey of 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one?
The InChIKey is MAWKJYCPTGZHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-6-9-15(11-17-4,12-18-5)10-7-8-14(16)13(2)3/h6,13H,1,9-12H2,2-5H3.
What are the key properties of 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one?
7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one has a molecular weight of 252.35 g/mol, XLogP of 2.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(methoxymethyl)-2-methyldec-9-en-4-yn-3-one is sourced from PubChem (CID 11043250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).