[(E)-6-methylhept-3-en-2-yl] acetate

C10H18O2 — CID 135085622

IUPAC[(E)-6-methylhept-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C=C/CC(C)C
InChIInChI=1S/C10H18O2/c1-8(2)6-5-7-9(3)12-10(4)11/h5,7-9H,6H2,1-4H3/b7-5+
InChIKeyKVPKGXYBEUQYFW-FNORWQNLSA-N
MW170.25 g/mol
LogP2.54
Rot. Bonds4

About [(E)-6-methylhept-3-en-2-yl] acetate

[(E)-6-methylhept-3-en-2-yl] acetate (PubChem CID 135085622) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(E)-6-methylhept-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(E)-6-methylhept-3-en-2-yl] acetate
PubChem CID135085622
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(E)-6-methylhept-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C=C/CC(C)C
InChIInChI=1S/C10H18O2/c1-8(2)6-5-7-9(3)12-10(4)11/h5,7-9H,6H2,1-4H3/b7-5+
InChIKeyKVPKGXYBEUQYFW-FNORWQNLSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.54
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

[(2R,6R)-6,10-dimethylundec-3-en-2-yl] acetate
CID 54562793
[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
[(Z,2S)-hept-3-en-6-yn-2-yl] acetate
CID 11240593
[(3E,5E)-hepta-3,5-dien-2-yl] acetate
CID 12755488
4,8-dimethylnon-5-en-2-one
CID 91493464
(E)-6-methylhept-3-en-2-one
CID 5462986
[(E,2S,5R)-5-(diethylamino)hex-3-en-2-yl] acetate
CID 131888386
[(E,2R)-4-cyanobut-3-en-2-yl] acetate
CID 11412427
[(2R)-but-3-en-2-yl] acetate
CID 11378468
5-methylsulfonyloxyhex-3-en-2-yl acetate
CID 123401405
[(E,2R,6R)-6,10-dimethylundec-3-en-2-yl] methyl carbonate
CID 14368742
[(E)-7-(1,3-dithian-2-yl)hept-3-en-2-yl] acetate
CID 10912730

Frequently Asked Questions

What is the IUPAC name of [(E)-6-methylhept-3-en-2-yl] acetate?
The IUPAC name of [(E)-6-methylhept-3-en-2-yl] acetate (CID 135085622) is [(E)-6-methylhept-3-en-2-yl] acetate.
What is the SMILES notation for [(E)-6-methylhept-3-en-2-yl] acetate?
The canonical SMILES for [(E)-6-methylhept-3-en-2-yl] acetate is CC(=O)OC(C)/C=C/CC(C)C.
What is the InChIKey of [(E)-6-methylhept-3-en-2-yl] acetate?
The InChIKey is KVPKGXYBEUQYFW-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)6-5-7-9(3)12-10(4)11/h5,7-9H,6H2,1-4H3/b7-5+.
What are the key properties of [(E)-6-methylhept-3-en-2-yl] acetate?
[(E)-6-methylhept-3-en-2-yl] acetate has a molecular weight of 170.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-methylhept-3-en-2-yl] acetate is sourced from PubChem (CID 135085622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).