2-methylhex-5-en-2-yl prop-2-enoate

C10H16O2 — CID 15319651

IUPAC2-methylhex-5-en-2-yl prop-2-enoate
SMILESC=CCCC(C)(C)OC(=O)C=C
InChIInChI=1S/C10H16O2/c1-5-7-8-10(3,4)12-9(11)6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeySGSHJUMDFAXNEI-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds5

About 2-methylhex-5-en-2-yl prop-2-enoate

2-methylhex-5-en-2-yl prop-2-enoate (PubChem CID 15319651) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methylhex-5-en-2-yl prop-2-enoate.

Molecular Properties

Compound Name2-methylhex-5-en-2-yl prop-2-enoate
PubChem CID15319651
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methylhex-5-en-2-yl prop-2-enoate
SMILESC=CCCC(C)(C)OC(=O)C=C
InChIInChI=1S/C10H16O2/c1-5-7-8-10(3,4)12-9(11)6-2/h5-6H,1-2,7-8H2,3-4H3
InChIKeySGSHJUMDFAXNEI-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylhex-5-en-2-yl prop-2-enoate?
The IUPAC name of 2-methylhex-5-en-2-yl prop-2-enoate (CID 15319651) is 2-methylhex-5-en-2-yl prop-2-enoate.
What is the SMILES notation for 2-methylhex-5-en-2-yl prop-2-enoate?
The canonical SMILES for 2-methylhex-5-en-2-yl prop-2-enoate is C=CCCC(C)(C)OC(=O)C=C.
What is the InChIKey of 2-methylhex-5-en-2-yl prop-2-enoate?
The InChIKey is SGSHJUMDFAXNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-5-7-8-10(3,4)12-9(11)6-2/h5-6H,1-2,7-8H2,3-4H3.
What are the key properties of 2-methylhex-5-en-2-yl prop-2-enoate?
2-methylhex-5-en-2-yl prop-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-5-en-2-yl prop-2-enoate is sourced from PubChem (CID 15319651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).