(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate

C20H34O2 — CID 75587714

IUPAC(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate
SMILESC=C(C)C1CC=C(C)C(OC(=O)CCCCCCCCC)C1
InChIInChI=1S/C20H34O2/c1-5-6-7-8-9-10-11-12-20(21)22-19-15-18(16(2)3)14-13-17(19)4/h13,18-19H,2,5-12,14-15H2,1,3-4H3
InChIKeyYTSUCIAUQZCDLU-UHFFFAOYSA-N
MW306.49 g/mol
LogP5.97
Rot. Bonds10

About (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate

(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate (PubChem CID 75587714) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate.

Molecular Properties

Compound Name(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate
PubChem CID75587714
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate
SMILESC=C(C)C1CC=C(C)C(OC(=O)CCCCCCCCC)C1
InChIInChI=1S/C20H34O2/c1-5-6-7-8-9-10-11-12-20(21)22-19-15-18(16(2)3)14-13-17(19)4/h13,18-19H,2,5-12,14-15H2,1,3-4H3
InChIKeyYTSUCIAUQZCDLU-UHFFFAOYSA-N
XLogP5.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate?
The IUPAC name of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate (CID 75587714) is (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate.
What is the SMILES notation for (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate?
The canonical SMILES for (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate is C=C(C)C1CC=C(C)C(OC(=O)CCCCCCCCC)C1.
What is the InChIKey of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate?
The InChIKey is YTSUCIAUQZCDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-5-6-7-8-9-10-11-12-20(21)22-19-15-18(16(2)3)14-13-17(19)4/h13,18-19H,2,5-12,14-15H2,1,3-4H3.
What are the key properties of (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate?
(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate has a molecular weight of 306.49 g/mol, XLogP of 5.97, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) decanoate is sourced from PubChem (CID 75587714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).