ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane

C17H28O6 — CID 91389858

IUPACethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane
SMILESC1CCOC1.CCOC(=O)C1C(OC)C=C(C)CC1OC(C)=O
InChIInChI=1S/C13H20O5.C4H8O/c1-5-17-13(15)12-10(16-4)6-8(2)7-11(12)18-9(3)14;1-2-4-5-3-1/h6,10-12H,5,7H2,1-4H3;1-4H2
InChIKeyHDVCFMIVWAVSEI-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.26
Rot. Bonds4

About ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane

ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane (PubChem CID 91389858) has the molecular formula C17H28O6 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane.

Molecular Properties

Compound Nameethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane
PubChem CID91389858
Molecular FormulaC17H28O6
Molecular Weight328.41 g/mol
Exact Mass328.19
IUPAC Nameethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane
SMILESC1CCOC1.CCOC(=O)C1C(OC)C=C(C)CC1OC(C)=O
InChIInChI=1S/C13H20O5.C4H8O/c1-5-17-13(15)12-10(16-4)6-8(2)7-11(12)18-9(3)14;1-2-4-5-3-1/h6,10-12H,5,7H2,1-4H3;1-4H2
InChIKeyHDVCFMIVWAVSEI-UHFFFAOYSA-N
XLogP2.26
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Millefin
CID 5319830
Epitulipinolide
CID 5322173
[(3aS,4S,6E,8S,10E,12S,14E,15aS)-4,12-diacetyloxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-8-yl] acetate
CID 10254309
Acetyl Neobritannilactone B
CID 11962128
(3aR,6E,10E,14E,15aS)-6,10,14-trimethyl-3-methylidene-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
CID 10040485
Laurenoniolide
CID 5281475
(3aR,4S,6E,10E,11aR)-4-(Acetyloxy)-3a,4,5,8,9,11a-hexahydro-6,10-dimethyl-3-methylenecyclodeca(b)furan-2(3H)-one
CID 5281504
Laurenobiolide
CID 44602428
[(3aR,4S,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
CID 10042281
methyl 2-[(3S,6R)-4,6-diethyl-6-[(E,2R)-2-ethylhex-3-enyl]-3H-1,2-dioxin-3-yl]acetate
CID 118711420
Claviolide
CID 11069750
Gersemolide
CID 12000066

Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane?
The IUPAC name of ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane (CID 91389858) is ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane.
What is the SMILES notation for ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane?
The canonical SMILES for ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane is C1CCOC1.CCOC(=O)C1C(OC)C=C(C)CC1OC(C)=O.
What is the InChIKey of ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane?
The InChIKey is HDVCFMIVWAVSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O5.C4H8O/c1-5-17-13(15)12-10(16-4)6-8(2)7-11(12)18-9(3)14;1-2-4-5-3-1/h6,10-12H,5,7H2,1-4H3;1-4H2.
What are the key properties of ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane?
ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane has a molecular weight of 328.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetyloxy-2-methoxy-4-methylcyclohex-3-ene-1-carboxylate;oxolane is sourced from PubChem (CID 91389858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).