(2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate

C16H26O3 — CID 175047573

IUPAC(2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate
SMILESC=CC(C)C(=O)OC1CCCCC1OCCC=CC
InChIInChI=1S/C16H26O3/c1-4-6-9-12-18-14-10-7-8-11-15(14)19-16(17)13(3)5-2/h4-6,13-15H,2,7-12H2,1,3H3
InChIKeyTXICKGPQKGRQKT-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.65
Rot. Bonds7

About (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate

(2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate (PubChem CID 175047573) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate.

Molecular Properties

Compound Name(2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate
PubChem CID175047573
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate
SMILESC=CC(C)C(=O)OC1CCCCC1OCCC=CC
InChIInChI=1S/C16H26O3/c1-4-6-9-12-18-14-10-7-8-11-15(14)19-16(17)13(3)5-2/h4-6,13-15H,2,7-12H2,1,3H3
InChIKeyTXICKGPQKGRQKT-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate?
The IUPAC name of (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate (CID 175047573) is (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate.
What is the SMILES notation for (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate?
The canonical SMILES for (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate is C=CC(C)C(=O)OC1CCCCC1OCCC=CC.
What is the InChIKey of (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate?
The InChIKey is TXICKGPQKGRQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-6-9-12-18-14-10-7-8-11-15(14)19-16(17)13(3)5-2/h4-6,13-15H,2,7-12H2,1,3H3.
What are the key properties of (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate?
(2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate has a molecular weight of 266.38 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate is sourced from PubChem (CID 175047573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).