(5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one

C18H26O6 — CID 25232648

IUPAC(5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one
SMILESC=CCC1=C(OCOC)[C@](CC=C)(COC2CCCCO2)OC1=O
InChIInChI=1S/C18H26O6/c1-4-8-14-16(23-13-20-3)18(10-5-2,24-17(14)19)12-22-15-9-6-7-11-21-15/h4-5,15H,1-2,6-13H2,3H3/t15?,18-/m0/s1
InChIKeyXRMSNFRCQHAXNQ-PKHIMPSTSA-N
MW338.40 g/mol
LogP2.85
Rot. Bonds10

About (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one

(5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one (PubChem CID 25232648) has the molecular formula C18H26O6 and a molecular weight of 338.40 g/mol. Its IUPAC name is (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one.

Molecular Properties

Compound Name(5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one
PubChem CID25232648
Molecular FormulaC18H26O6
Molecular Weight338.40 g/mol
Exact Mass338.17
IUPAC Name(5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one
SMILESC=CCC1=C(OCOC)[C@](CC=C)(COC2CCCCO2)OC1=O
InChIInChI=1S/C18H26O6/c1-4-8-14-16(23-13-20-3)18(10-5-2,24-17(14)19)12-22-15-9-6-7-11-21-15/h4-5,15H,1-2,6-13H2,3H3/t15?,18-/m0/s1
InChIKeyXRMSNFRCQHAXNQ-PKHIMPSTSA-N
XLogP2.85
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl (1R,4S)-3-[2-(oxan-2-yloxy)ethoxy]bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate
CID 134918700
[(2S)-5,5-dimethyl-2-[(2E,6E)-8-(oxan-2-yloxy)octa-2,6-dien-2-yl]-2H-furan-4-yl] 2,2-dimethylpropanoate
CID 134930930
ethyl (E)-3-[6-(oxan-2-yloxymethyl)-4-oxopyran-3-yl]prop-2-enoate
CID 86642391
Ethyl 3-[6-(oxan-2-yloxymethyl)-4-oxopyran-3-yl]prop-2-enoate
CID 91484316
methyl (2E,6S)-2,6-dimethyl-6-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyocta-2,7-dienoate
CID 10406957
[(2S)-5,5-dimethyl-2-[(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-2-yl]-2H-furan-4-yl] 2,2-dimethylpropanoate
CID 10905915
Ethyl 2-ethenyl-5-[3-(oxan-2-yloxy)propyl]-2,3-dihydrofuran-4-carboxylate
CID 11536878
[5,5-dimethyl-2-[(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-2-yl]-2H-furan-4-yl] 2,2-dimethylpropanoate
CID 11825953
(5S)-4-(methoxymethoxy)-3,5-bis(3-methylbut-2-enyl)-5-(oxan-2-yloxymethyl)furan-2-one
CID 25232649
[5,5-dimethyl-2-[6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-2-yl]-2H-furan-4-yl] 2,2-dimethylpropanoate
CID 57372486

Frequently Asked Questions

What is the IUPAC name of (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one?
The IUPAC name of (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one (CID 25232648) is (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one.
What is the SMILES notation for (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one?
The canonical SMILES for (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one is C=CCC1=C(OCOC)[C@](CC=C)(COC2CCCCO2)OC1=O.
What is the InChIKey of (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one?
The InChIKey is XRMSNFRCQHAXNQ-PKHIMPSTSA-N. The full InChI is InChI=1S/C18H26O6/c1-4-8-14-16(23-13-20-3)18(10-5-2,24-17(14)19)12-22-15-9-6-7-11-21-15/h4-5,15H,1-2,6-13H2,3H3/t15?,18-/m0/s1.
What are the key properties of (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one?
(5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one has a molecular weight of 338.40 g/mol, XLogP of 2.85, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-(methoxymethoxy)-5-(oxan-2-yloxymethyl)-3,5-bis(prop-2-enyl)furan-2-one is sourced from PubChem (CID 25232648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).