[[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene

C28H28O — CID 101368856

IUPAC[[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene
SMILESC=C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O/c1-2-21-18-26(21)27-19-22(27)20-29-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-17,21-22,26-27H,1,18-20H2/t21-,22+,26+,27-/m1/s1
InChIKeyCYRXWHKJYWJHMM-SDDHZKHCSA-N
MW380.53 g/mol
LogP6.45
Rot. Bonds8

About [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene

[[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene (PubChem CID 101368856) has the molecular formula C28H28O and a molecular weight of 380.53 g/mol. Its IUPAC name is [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene.

Molecular Properties

Compound Name[[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene
PubChem CID101368856
Molecular FormulaC28H28O
Molecular Weight380.53 g/mol
Exact Mass380.21
IUPAC Name[[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene
SMILESC=C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28O/c1-2-21-18-26(21)27-19-22(27)20-29-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-17,21-22,26-27H,1,18-20H2/t21-,22+,26+,27-/m1/s1
InChIKeyCYRXWHKJYWJHMM-SDDHZKHCSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-[(1R,2S)-2-(trityloxymethyl)cyclopropyl]cyclopropane-1-carbaldehyde
CID 10500118
[(1R)-2-[(1R,2S)-2-ethenylcyclopropyl]cyclopropyl]benzene
CID 134846677
(2S,4S,5R)-5-(trityloxymethyl)oxolane-2,4-diol
CID 171126516
3-(trityloxymethyl)cyclobutan-1-ol
CID 14796870
2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 141267645
[(1R,2R,3R,4R)-2,3-dihydroxy-4-(trityloxymethyl)cyclopentyl] acetate
CID 10025805
[[(2S)-2-methylpent-4-enoxy]-diphenylmethyl]benzene
CID 178116138
(1S,4R)-4-(trityloxymethyl)cyclopent-2-en-1-ol
CID 10021190
4-(trityloxymethyl)trioxolane
CID 19758940
2-phenyl-3-(trityloxymethyl)oxirane
CID 23443485
(1R,2S,3S)-1-phenyl-2,3-bis(trityloxymethyl)cyclobutan-1-ol
CID 10580518
[diphenyl(4-prop-2-enoxybutoxy)methyl]benzene
CID 11462923

Frequently Asked Questions

What is the IUPAC name of [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene?
The IUPAC name of [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene (CID 101368856) is [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene.
What is the SMILES notation for [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene?
The canonical SMILES for [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene is C=C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene?
The InChIKey is CYRXWHKJYWJHMM-SDDHZKHCSA-N. The full InChI is InChI=1S/C28H28O/c1-2-21-18-26(21)27-19-22(27)20-29-28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h2-17,21-22,26-27H,1,18-20H2/t21-,22+,26+,27-/m1/s1.
What are the key properties of [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene?
[[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene has a molecular weight of 380.53 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R,2S)-2-[(1S,2S)-2-ethenylcyclopropyl]cyclopropyl]methoxy-diphenylmethyl]benzene is sourced from PubChem (CID 101368856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).