[(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene

C22H24O — CID 11266699

IUPAC[(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene
SMILESC=C[C@@H]1CC[C@H](/C=C/c2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C22H24O/c1-2-20-15-16-21(14-13-18-9-5-3-6-10-18)22(20)23-17-19-11-7-4-8-12-19/h2-14,20-22H,1,15-17H2/b14-13+/t20-,21+,22-/m1/s1
InChIKeyPCQMQWDOWYSEPQ-RETVGHBNSA-N
MW304.43 g/mol
LogP5.50
Rot. Bonds6

About [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene

[(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene (PubChem CID 11266699) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene.

Molecular Properties

Compound Name[(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene
PubChem CID11266699
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name[(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene
SMILESC=C[C@@H]1CC[C@H](/C=C/c2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C22H24O/c1-2-20-15-16-21(14-13-18-9-5-3-6-10-18)22(20)23-17-19-11-7-4-8-12-19/h2-14,20-22H,1,15-17H2/b14-13+/t20-,21+,22-/m1/s1
InChIKeyPCQMQWDOWYSEPQ-RETVGHBNSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R)-2-[(Z)-2-phenylethenyl]-3,4-bis(phenylmethoxy)-1-prop-2-enylpyrrolidine
CID 45380156
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1S,2R,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexane-1,2-diol
CID 7099090
(1R,2R,3S,4R,5R,6R)-3,4-bis(phenylmethoxy)-2,5,6-tris(prop-2-enoxy)cyclohexan-1-ol
CID 27531776
(1R,2S,3S,4R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxycyclohexane-1,2-diol
CID 11755326
1-[(E)-2-[(1S,2S,3R)-3-ethenyl-2-(methoxymethoxy)cyclopentyl]ethenyl]naphthalene
CID 15418788
2-methyl-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane
CID 42609162
1-methoxy-4-[[(1S,2R,3R,4S,5S,6R)-2,3,6-tris(phenylmethoxy)-4,5-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 11966709
[(1S,2R,6R)-2,6-bis(phenylmethoxy)-4-[(E)-2-[(3R,4S,5R)-3,4,5-tris(phenylmethoxy)cyclohexen-1-yl]ethenyl]cyclohex-3-en-1-yl]oxymethylbenzene
CID 10941831
1-methoxy-4-[[(1R,2R,3S,4S,5R,6S)-2,4,5-tris(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 10604284
(3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)-1-prop-2-enylazepane
CID 71658430
4-phenylmethoxy-1-prop-2-enylpiperidine
CID 57075697

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene?
The IUPAC name of [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene (CID 11266699) is [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene.
What is the SMILES notation for [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene?
The canonical SMILES for [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene is C=C[C@@H]1CC[C@H](/C=C/c2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene?
The InChIKey is PCQMQWDOWYSEPQ-RETVGHBNSA-N. The full InChI is InChI=1S/C22H24O/c1-2-20-15-16-21(14-13-18-9-5-3-6-10-18)22(20)23-17-19-11-7-4-8-12-19/h2-14,20-22H,1,15-17H2/b14-13+/t20-,21+,22-/m1/s1.
What are the key properties of [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene?
[(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene has a molecular weight of 304.43 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-2-ethenyl-5-[(E)-2-phenylethenyl]cyclopentyl]oxymethylbenzene is sourced from PubChem (CID 11266699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).