(6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene

C23H44O4 — CID 166444574

IUPAC(6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene
SMILESCCCCCC[C@@H](C)/C=C/C=C/C(CCCC(OCC)OCC)OCOC
InChIInChI=1S/C23H44O4/c1-6-9-10-11-15-21(4)16-12-13-17-22(27-20-24-5)18-14-19-23(25-7-2)26-8-3/h12-13,16-17,21-23H,6-11,14-15,18-20H2,1-5H3/b16-12+,17-13+/t21-,22?/m1/s1
InChIKeyBQWBXDYVFDXEFJ-ALFATUPSSA-N
MW384.60 g/mol
LogP6.26
Rot. Bonds19

About (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene

(6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene (PubChem CID 166444574) has the molecular formula C23H44O4 and a molecular weight of 384.60 g/mol. Its IUPAC name is (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene.

Molecular Properties

Compound Name(6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene
PubChem CID166444574
Molecular FormulaC23H44O4
Molecular Weight384.60 g/mol
Exact Mass384.32
IUPAC Name(6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene
SMILESCCCCCC[C@@H](C)/C=C/C=C/C(CCCC(OCC)OCC)OCOC
InChIInChI=1S/C23H44O4/c1-6-9-10-11-15-21(4)16-12-13-17-22(27-20-24-5)18-14-19-23(25-7-2)26-8-3/h12-13,16-17,21-23H,6-11,14-15,18-20H2,1-5H3/b16-12+,17-13+/t21-,22?/m1/s1
InChIKeyBQWBXDYVFDXEFJ-ALFATUPSSA-N
XLogP6.26
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,6R)-2-ethenyl-3-ethyl-4-(methoxymethoxy)-6-[(E,2S,3R,4S)-3-methoxy-4-methyloct-6-en-2-yl]oxane
CID 46855104
(2S,5S,7R,8Z,10Z,12E)-5-(1-ethoxyethoxy)-2-[(3S,6R)-6-methoxy-3-methyl-3,6-dihydro-2H-pyran-2-yl]tetradeca-8,10,12-trien-7-ol
CID 134982262
2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 135050594
(6E,8E,10R)-1,1-diethoxy-10-methylhexadeca-6,8-dien-5-ol
CID 166444571
1-[dec-9-enoxy-[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-4-methoxycyclohexane
CID 140427863
7-(1,1-Dimethoxyethyl)-4-methoxypentadec-2-ene
CID 150080825
4-Methoxy-7-(triethoxymethyl)pentadec-2-ene
CID 151054589
4-Methoxy-7-(trimethoxymethyl)pentadec-2-ene
CID 151405643
(2S,3R,5R,6R)-2,3,5-trimethyl-6-[(2R,5E)-7-propan-2-yloxyocta-5,7-dien-2-yl]oxyoxane
CID 155326761
(2S,3R,5R,6S)-2,3,5-trimethyl-6-[1-[(3E)-5-[(2-methylpropan-2-yl)oxy]hexa-3,5-dienyl]cyclobutyl]oxyoxane
CID 155326945
(2S,3R,5R,6R)-2,3,5-trimethyl-6-[(4E)-6-[(2-methylpropan-2-yl)oxy]hepta-4,6-dienoxy]oxane
CID 155327061
7-(Dimethoxymethyl)-4-methoxyhexadec-2-ene
CID 160161705

Frequently Asked Questions

What is the IUPAC name of (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene?
The IUPAC name of (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene (CID 166444574) is (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene.
What is the SMILES notation for (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene?
The canonical SMILES for (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene is CCCCCC[C@@H](C)/C=C/C=C/C(CCCC(OCC)OCC)OCOC.
What is the InChIKey of (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene?
The InChIKey is BQWBXDYVFDXEFJ-ALFATUPSSA-N. The full InChI is InChI=1S/C23H44O4/c1-6-9-10-11-15-21(4)16-12-13-17-22(27-20-24-5)18-14-19-23(25-7-2)26-8-3/h12-13,16-17,21-23H,6-11,14-15,18-20H2,1-5H3/b16-12+,17-13+/t21-,22?/m1/s1.
What are the key properties of (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene?
(6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene has a molecular weight of 384.60 g/mol, XLogP of 6.26, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10R)-1,1-diethoxy-5-(methoxymethoxy)-10-methylhexadeca-6,8-diene is sourced from PubChem (CID 166444574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).