propan-2-yl 4-methylhexa-4,5-dienoate

C10H16O2 — CID 154709858

IUPACpropan-2-yl 4-methylhexa-4,5-dienoate
SMILESC=C=C(C)CCC(=O)OC(C)C
InChIInChI=1S/C10H16O2/c1-5-9(4)6-7-10(11)12-8(2)3/h8H,1,6-7H2,2-4H3
InChIKeyGAZOZRAVVSFNJE-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds4

About propan-2-yl 4-methylhexa-4,5-dienoate

propan-2-yl 4-methylhexa-4,5-dienoate (PubChem CID 154709858) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is propan-2-yl 4-methylhexa-4,5-dienoate.

Molecular Properties

Compound Namepropan-2-yl 4-methylhexa-4,5-dienoate
PubChem CID154709858
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namepropan-2-yl 4-methylhexa-4,5-dienoate
SMILESC=C=C(C)CCC(=O)OC(C)C
InChIInChI=1S/C10H16O2/c1-5-9(4)6-7-10(11)12-8(2)3/h8H,1,6-7H2,2-4H3
InChIKeyGAZOZRAVVSFNJE-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-methylhexa-4,5-dienoate?
The IUPAC name of propan-2-yl 4-methylhexa-4,5-dienoate (CID 154709858) is propan-2-yl 4-methylhexa-4,5-dienoate.
What is the SMILES notation for propan-2-yl 4-methylhexa-4,5-dienoate?
The canonical SMILES for propan-2-yl 4-methylhexa-4,5-dienoate is C=C=C(C)CCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 4-methylhexa-4,5-dienoate?
The InChIKey is GAZOZRAVVSFNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-9(4)6-7-10(11)12-8(2)3/h8H,1,6-7H2,2-4H3.
What are the key properties of propan-2-yl 4-methylhexa-4,5-dienoate?
propan-2-yl 4-methylhexa-4,5-dienoate has a molecular weight of 168.24 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-methylhexa-4,5-dienoate is sourced from PubChem (CID 154709858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).