(5-methyl-2-methylidenehex-4-enyl) acetate

C10H16O2 — CID 134837944

IUPAC(5-methyl-2-methylidenehex-4-enyl) acetate
SMILESC=C(CC=C(C)C)COC(C)=O
InChIInChI=1S/C10H16O2/c1-8(2)5-6-9(3)7-12-10(4)11/h5H,3,6-7H2,1-2,4H3
InChIKeyIEGPEWBQZHUDRQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds4

About (5-methyl-2-methylidenehex-4-enyl) acetate

(5-methyl-2-methylidenehex-4-enyl) acetate (PubChem CID 134837944) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5-methyl-2-methylidenehex-4-enyl) acetate.

Molecular Properties

Compound Name(5-methyl-2-methylidenehex-4-enyl) acetate
PubChem CID134837944
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5-methyl-2-methylidenehex-4-enyl) acetate
SMILESC=C(CC=C(C)C)COC(C)=O
InChIInChI=1S/C10H16O2/c1-8(2)5-6-9(3)7-12-10(4)11/h5H,3,6-7H2,1-2,4H3
InChIKeyIEGPEWBQZHUDRQ-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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'}

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Related Compounds

Geranyl Acetate
CID 1549026
Geranyl tiglate
CID 5367785
Gefarnate
CID 5282182
2-Hexenyl acetate, (2E)-
CID 2733294
Neryl acetate
CID 1549025
Geranyl butyrate
CID 5355856
Neryl butyrate
CID 5352162
trans-2-HEXENYL BUTYRATE
CID 5352461
2-Hexenyl propionate, (2E)-
CID 5352463
Neryl propionate
CID 5365982
Neryl isobutyrate
CID 5365991
Neryl isovalerate
CID 6429039

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-methylidenehex-4-enyl) acetate?
The IUPAC name of (5-methyl-2-methylidenehex-4-enyl) acetate (CID 134837944) is (5-methyl-2-methylidenehex-4-enyl) acetate.
What is the SMILES notation for (5-methyl-2-methylidenehex-4-enyl) acetate?
The canonical SMILES for (5-methyl-2-methylidenehex-4-enyl) acetate is C=C(CC=C(C)C)COC(C)=O.
What is the InChIKey of (5-methyl-2-methylidenehex-4-enyl) acetate?
The InChIKey is IEGPEWBQZHUDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)5-6-9(3)7-12-10(4)11/h5H,3,6-7H2,1-2,4H3.
What are the key properties of (5-methyl-2-methylidenehex-4-enyl) acetate?
(5-methyl-2-methylidenehex-4-enyl) acetate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-methylidenehex-4-enyl) acetate is sourced from PubChem (CID 134837944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).