ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate

C15H24O3 — CID 15480389

IUPACethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate
SMILESCCCCCC1=C/C(=C\C(=O)OCC)CC(C)O1
InChIInChI=1S/C15H24O3/c1-4-6-7-8-14-10-13(9-12(3)18-14)11-15(16)17-5-2/h10-12H,4-9H2,1-3H3/b13-11-
InChIKeySZVVCSDRFIKYBG-QBFSEMIESA-N
MW252.35 g/mol
LogP3.75
Rot. Bonds6

About ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate

ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate (PubChem CID 15480389) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate
PubChem CID15480389
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate
SMILESCCCCCC1=C/C(=C\C(=O)OCC)CC(C)O1
InChIInChI=1S/C15H24O3/c1-4-6-7-8-14-10-13(9-12(3)18-14)11-15(16)17-5-2/h10-12H,4-9H2,1-3H3/b13-11-
InChIKeySZVVCSDRFIKYBG-QBFSEMIESA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-N-Butyl-4,5-Dihydrophthalide
CID 173843
Phomopsinone A
CID 101578423
Kava
CID 5281052
3-N-butyl-4,5-dihydrophthalide, (S)-
CID 3085257
2H-Pyran-2-one, 4-methyl-6-pentyl-
CID 11401122
Pyrenocine L
CID 76309266
6-Heptyl-4-methylpyran-2-one
CID 21520139
4-Methoxy-6-nonylpyran-2-one
CID 44264720
4-Methoxy-3-methyl-6-(4-methylpentyl)pyran-2-one
CID 146684006
:3n-Valeryl-4,5-dihydrophthalide
CID 91704075
Daldiniapyrone
CID 10912069
Angeloylsenkyunolide F
CID 131752734

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate (CID 15480389) is ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate is CCCCCC1=C/C(=C\C(=O)OCC)CC(C)O1.
What is the InChIKey of ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate?
The InChIKey is SZVVCSDRFIKYBG-QBFSEMIESA-N. The full InChI is InChI=1S/C15H24O3/c1-4-6-7-8-14-10-13(9-12(3)18-14)11-15(16)17-5-2/h10-12H,4-9H2,1-3H3/b13-11-.
What are the key properties of ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate?
ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate has a molecular weight of 252.35 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-methyl-6-pentyl-2,3-dihydropyran-4-ylidene)acetate is sourced from PubChem (CID 15480389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).