(2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan

C9H16O2 — CID 59974782

IUPAC(2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan
SMILESCCOC1(CC)C=C[C@H](C)O1
InChIInChI=1S/C9H16O2/c1-4-9(10-5-2)7-6-8(3)11-9/h6-8H,4-5H2,1-3H3/t8-,9?/m0/s1
InChIKeyHUNTUTABIDRCEX-IENPIDJESA-N
MW156.22 g/mol
LogP2.10
Rot. Bonds3

About (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan

(2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan (PubChem CID 59974782) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan.

Molecular Properties

Compound Name(2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan
PubChem CID59974782
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan
SMILESCCOC1(CC)C=C[C@H](C)O1
InChIInChI=1S/C9H16O2/c1-4-9(10-5-2)7-6-8(3)11-9/h6-8H,4-5H2,1-3H3/t8-,9?/m0/s1
InChIKeyHUNTUTABIDRCEX-IENPIDJESA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Diethoxy-2,6-nonadiene, (2E,6Z)-
CID 6364671
2-Hexenal diethyl acetal, (2E)-
CID 5365137
1,1-Diethoxyhex-2-ene
CID 93366
(E)-4-methyl-2-(pent-1-enyl)-1,3-dioxolane
CID 5370364
1,1-Diethoxynona-2,6-diene
CID 105533
1,1-Diethoxy-2,6-nonadiene, (2Z,6Z)-
CID 20838796
Furan, 2,5-dihydro-2,5-dimethoxy-2,5-dimethyl-
CID 86653
Furan, 2,5-dihydro-2,5-dimethoxy-2-methyl-
CID 90772
2,6-Nonadienal diethyl acetal
CID 6437114
(5S)-2,2,9-trimethyl-1,6-dioxaspiro[4.4]nona-3,8-diene
CID 101921737
4-Methyl-2-(1-penten-1-yl)-1,3-dioxolane
CID 574707
(e)-Hex-2-en-1-yl ethyl carbonate
CID 10910023

Frequently Asked Questions

What is the IUPAC name of (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan?
The IUPAC name of (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan (CID 59974782) is (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan.
What is the SMILES notation for (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan?
The canonical SMILES for (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan is CCOC1(CC)C=C[C@H](C)O1.
What is the InChIKey of (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan?
The InChIKey is HUNTUTABIDRCEX-IENPIDJESA-N. The full InChI is InChI=1S/C9H16O2/c1-4-9(10-5-2)7-6-8(3)11-9/h6-8H,4-5H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan?
(2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan has a molecular weight of 156.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-ethoxy-5-ethyl-2-methyl-2H-furan is sourced from PubChem (CID 59974782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).