(3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate

C16H28O2 — CID 13229577

IUPAC(3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate
SMILESC=CCCC(CCC(C)CCOC(C)=O)C(=C)C
InChIInChI=1S/C16H28O2/c1-6-7-8-16(13(2)3)10-9-14(4)11-12-18-15(5)17/h6,14,16H,1-2,7-12H2,3-5H3
InChIKeyUJJKWQRTTYLTQL-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.51
Rot. Bonds10

About (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate

(3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate (PubChem CID 13229577) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate.

Molecular Properties

Compound Name(3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate
PubChem CID13229577
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name(3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate
SMILESC=CCCC(CCC(C)CCOC(C)=O)C(=C)C
InChIInChI=1S/C16H28O2/c1-6-7-8-16(13(2)3)10-9-14(4)11-12-18-15(5)17/h6,14,16H,1-2,7-12H2,3-5H3
InChIKeyUJJKWQRTTYLTQL-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate?
The IUPAC name of (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate (CID 13229577) is (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate.
What is the SMILES notation for (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate?
The canonical SMILES for (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate is C=CCCC(CCC(C)CCOC(C)=O)C(=C)C.
What is the InChIKey of (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate?
The InChIKey is UJJKWQRTTYLTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-6-7-8-16(13(2)3)10-9-14(4)11-12-18-15(5)17/h6,14,16H,1-2,7-12H2,3-5H3.
What are the key properties of (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate?
(3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate has a molecular weight of 252.40 g/mol, XLogP of 4.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6-prop-1-en-2-yldec-9-enyl) acetate is sourced from PubChem (CID 13229577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).