(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate

C12H20O2 — CID 30247

IUPAC(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
SMILESC=C(C)C(CC=C(C)C)COC(C)=O
InChIInChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
InChIKeyHYNGAVZPWWXQIU-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.10
Rot. Bonds5

About (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate

(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate (PubChem CID 30247) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate.

Molecular Properties

Compound Name(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
PubChem CID30247
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate
SMILESC=C(C)C(CC=C(C)C)COC(C)=O
InChIInChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
InChIKeyHYNGAVZPWWXQIU-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate?
The IUPAC name of (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate (CID 30247) is (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate.
What is the SMILES notation for (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate?
The canonical SMILES for (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate is C=C(C)C(CC=C(C)C)COC(C)=O.
What is the InChIKey of (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate?
The InChIKey is HYNGAVZPWWXQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3.
What are the key properties of (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate?
(5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate has a molecular weight of 196.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-prop-1-en-2-ylhex-4-enyl) acetate is sourced from PubChem (CID 30247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).