ethyl 4,4-dimethyl-3-methylidenepentanoate

C10H18O2 — CID 13351028

IUPACethyl 4,4-dimethyl-3-methylidenepentanoate
SMILESC=C(CC(=O)OCC)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-6-12-9(11)7-8(2)10(3,4)5/h2,6-7H2,1,3-5H3
InChIKeySQSAKOFEGASCRS-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.54
Rot. Bonds3

About ethyl 4,4-dimethyl-3-methylidenepentanoate

ethyl 4,4-dimethyl-3-methylidenepentanoate (PubChem CID 13351028) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethyl 4,4-dimethyl-3-methylidenepentanoate.

Molecular Properties

Compound Nameethyl 4,4-dimethyl-3-methylidenepentanoate
PubChem CID13351028
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethyl 4,4-dimethyl-3-methylidenepentanoate
SMILESC=C(CC(=O)OCC)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-6-12-9(11)7-8(2)10(3,4)5/h2,6-7H2,1,3-5H3
InChIKeySQSAKOFEGASCRS-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.54
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 ethyl 4,4-dimethyl-3-methylidenepentanoate?
The IUPAC name of ethyl 4,4-dimethyl-3-methylidenepentanoate (CID 13351028) is ethyl 4,4-dimethyl-3-methylidenepentanoate.
What is the SMILES notation for ethyl 4,4-dimethyl-3-methylidenepentanoate?
The canonical SMILES for ethyl 4,4-dimethyl-3-methylidenepentanoate is C=C(CC(=O)OCC)C(C)(C)C.
What is the InChIKey of ethyl 4,4-dimethyl-3-methylidenepentanoate?
The InChIKey is SQSAKOFEGASCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6-12-9(11)7-8(2)10(3,4)5/h2,6-7H2,1,3-5H3.
What are the key properties of ethyl 4,4-dimethyl-3-methylidenepentanoate?
ethyl 4,4-dimethyl-3-methylidenepentanoate has a molecular weight of 170.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethyl-3-methylidenepentanoate is sourced from PubChem (CID 13351028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).