[(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene

C17H24O3 — CID 102578151

IUPAC[(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene
SMILESC=CCOC[C@H](OC)[C@H](C=C)COCc1ccccc1
InChIInChI=1S/C17H24O3/c1-4-11-19-14-17(18-3)16(5-2)13-20-12-15-9-7-6-8-10-15/h4-10,16-17H,1-2,11-14H2,3H3/t16-,17+/m1/s1
InChIKeyWYKVGICKRSQAEA-SJORKVTESA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds11

About [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene

[(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene (PubChem CID 102578151) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene.

Molecular Properties

Compound Name[(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene
PubChem CID102578151
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name[(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene
SMILESC=CCOC[C@H](OC)[C@H](C=C)COCc1ccccc1
InChIInChI=1S/C17H24O3/c1-4-11-19-14-17(18-3)16(5-2)13-20-12-15-9-7-6-8-10-15/h4-10,16-17H,1-2,11-14H2,3H3/t16-,17+/m1/s1
InChIKeyWYKVGICKRSQAEA-SJORKVTESA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(phenylmethoxymethyl)-2-propylpent-4-enal
CID 86086944
(2R,3R)-2-ethenyl-4-phenylmethoxybutane-1,3-diol
CID 13112316
(2S,3R)-2-methoxy-4,4-dimethyl-1-phenylmethoxypentan-3-ol
CID 10467398
[3-methoxy-1-[2-methyl-1,3-bis(phenylmethoxy)propyl]-2-phenylmethoxyhex-5-enoxy]methylbenzene
CID 166897060
2-phenyl-3-(phenylmethoxymethyl)pent-4-enoic acid
CID 10880992
[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene
CID 122213469
1-phenylmethoxybut-3-en-2-ylhydrazine
CID 131115304
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
propan-2-yl (3R,4S)-3-methyl-2-oxo-4-(phenylmethoxymethyl)hex-5-enoate
CID 25229028
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene?
The IUPAC name of [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene (CID 102578151) is [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene.
What is the SMILES notation for [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene?
The canonical SMILES for [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene is C=CCOC[C@H](OC)[C@H](C=C)COCc1ccccc1.
What is the InChIKey of [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene?
The InChIKey is WYKVGICKRSQAEA-SJORKVTESA-N. The full InChI is InChI=1S/C17H24O3/c1-4-11-19-14-17(18-3)16(5-2)13-20-12-15-9-7-6-8-10-15/h4-10,16-17H,1-2,11-14H2,3H3/t16-,17+/m1/s1.
What are the key properties of [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene?
[(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene has a molecular weight of 276.38 g/mol, XLogP of 3.22, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R)-1-methoxy-2-prop-2-enoxyethyl]but-3-enoxy]methylbenzene is sourced from PubChem (CID 102578151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).