(2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde

C14H24O4 — CID 15059850

IUPAC(2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde
SMILESCO[C@@H]1OC(C)=C(C=O)[C@H]1CCCCCCCO
InChIInChI=1S/C14H24O4/c1-11-13(10-16)12(14(17-2)18-11)8-6-4-3-5-7-9-15/h10,12,14-15H,3-9H2,1-2H3/t12-,14-/m1/s1
InChIKeyMNMGVVBIWNGGSE-TZMCWYRMSA-N
MW256.34 g/mol
LogP2.41
Rot. Bonds9

About (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde

(2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde (PubChem CID 15059850) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde
PubChem CID15059850
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde
SMILESCO[C@@H]1OC(C)=C(C=O)[C@H]1CCCCCCCO
InChIInChI=1S/C14H24O4/c1-11-13(10-16)12(14(17-2)18-11)8-6-4-3-5-7-9-15/h10,12,14-15H,3-9H2,1-2H3/t12-,14-/m1/s1
InChIKeyMNMGVVBIWNGGSE-TZMCWYRMSA-N
XLogP2.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(Diethoxymethyl)-5-hydroxy-2-methylcyclohexene-1-carbaldehyde
CID 85119588
(5S,6S)-2-butyl-6-(diethoxymethyl)-5-hydroxycyclohexene-1-carbaldehyde
CID 9971134
(5S,6S)-6-(diethoxymethyl)-2-heptyl-5-hydroxycyclohexene-1-carbaldehyde
CID 10019296
(5S,6S)-6-(diethoxymethyl)-2-ethyl-5-hydroxycyclohexene-1-carbaldehyde
CID 10083750
(5S,6S)-6-(diethoxymethyl)-5-hydroxy-2-methylcyclohexene-1-carbaldehyde
CID 10354382
(5S,6S)-6-(diethoxymethyl)-5-hydroxy-2-octylcyclohexene-1-carbaldehyde
CID 10359934
(5S,6S)-6-(diethoxymethyl)-5-hydroxy-2-pentylcyclohexene-1-carbaldehyde
CID 10424788
ethyl (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 15059847
(2R,3R)-3-[(Z)-7-hydroxyhept-3-enyl]-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde
CID 15059851

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde?
The IUPAC name of (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde (CID 15059850) is (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde.
What is the SMILES notation for (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde?
The canonical SMILES for (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde is CO[C@@H]1OC(C)=C(C=O)[C@H]1CCCCCCCO.
What is the InChIKey of (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde?
The InChIKey is MNMGVVBIWNGGSE-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24O4/c1-11-13(10-16)12(14(17-2)18-11)8-6-4-3-5-7-9-15/h10,12,14-15H,3-9H2,1-2H3/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde?
(2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde has a molecular weight of 256.34 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(7-hydroxyheptyl)-2-methoxy-5-methyl-2,3-dihydrofuran-4-carbaldehyde is sourced from PubChem (CID 15059850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).