[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene

C16H24O3 — CID 71496897

IUPAC[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
SMILESC=CC[C@H](C[C@H](C)OCOC)OCc1ccccc1
InChIInChI=1S/C16H24O3/c1-4-8-16(11-14(2)19-13-17-3)18-12-15-9-6-5-7-10-15/h4-7,9-10,14,16H,1,8,11-13H2,2-3H3/t14-,16+/m0/s1
InChIKeyLQFFKFKAGWGQDH-GOEBONIOSA-N
MW264.37 g/mol
LogP3.55
Rot. Bonds10

About [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene

[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene (PubChem CID 71496897) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
PubChem CID71496897
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
SMILESC=CC[C@H](C[C@H](C)OCOC)OCc1ccccc1
InChIInChI=1S/C16H24O3/c1-4-8-16(11-14(2)19-13-17-3)18-12-15-9-6-5-7-10-15/h4-7,9-10,14,16H,1,8,11-13H2,2-3H3/t14-,16+/m0/s1
InChIKeyLQFFKFKAGWGQDH-GOEBONIOSA-N
XLogP3.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(2S)-2-(methoxymethoxy)pent-4-enyl]benzene
CID 101457567
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
2-(methoxymethoxy)propylbenzene
CID 11367357
(3R)-N,N-dibenzyl-3-(methoxymethoxy)hex-5-enamide
CID 50900870
1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
CID 21317630
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
1-fluoro-4-[(2S)-2-phenylmethoxypent-4-enoxy]benzene
CID 129387965
[(2R,4S,6S)-2,6-bis(methoxymethoxy)non-8-en-4-yl]oxy-tert-butyl-dimethylsilane
CID 56946984
[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene
CID 145114900
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene?
The IUPAC name of [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene (CID 71496897) is [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene.
What is the SMILES notation for [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene?
The canonical SMILES for [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene is C=CC[C@H](C[C@H](C)OCOC)OCc1ccccc1.
What is the InChIKey of [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene?
The InChIKey is LQFFKFKAGWGQDH-GOEBONIOSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-8-16(11-14(2)19-13-17-3)18-12-15-9-6-5-7-10-15/h4-7,9-10,14,16H,1,8,11-13H2,2-3H3/t14-,16+/m0/s1.
What are the key properties of [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene?
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene has a molecular weight of 264.37 g/mol, XLogP of 3.55, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene is sourced from PubChem (CID 71496897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).