[(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol

C20H34O2Si — CID 134999545

IUPAC[(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol
SMILESCC(C)[Si](OC[C@@H]1[C@@H](CO)[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H34O2Si/c1-14(2)23(15(3)4,16(5)6)22-13-19-18(12-21)20(19)17-10-8-7-9-11-17/h7-11,14-16,18-21H,12-13H2,1-6H3/t18-,19-,20-/m1/s1
InChIKeyIVLHPOPVFJDQNL-VAMGGRTRSA-N
MW334.58 g/mol
LogP5.20
Rot. Bonds8

About [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol

[(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol (PubChem CID 134999545) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol
PubChem CID134999545
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name[(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol
SMILESCC(C)[Si](OC[C@@H]1[C@@H](CO)[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H34O2Si/c1-14(2)23(15(3)4,16(5)6)22-13-19-18(12-21)20(19)17-10-8-7-9-11-17/h7-11,14-16,18-21H,12-13H2,1-6H3/t18-,19-,20-/m1/s1
InChIKeyIVLHPOPVFJDQNL-VAMGGRTRSA-N
XLogP5.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,3R)-2-butyl-3-phenylcyclopropyl]methanol
CID 102330777
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
[(2S,4S)-2-phenyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 16688961
[(1S,2R,3S)-2-chloro-3-phenylcyclopropyl]methanol
CID 102310526
(3R,4S,5S)-3-benzyl-5-methyl-4-[tri(propan-2-yl)silyloxymethyl]oxolan-2-one
CID 131745275
2-[(2R,6S)-2-[tri(propan-2-yl)silyloxymethyl]-6-(trityloxymethyl)oxan-4-ylidene]ethanol
CID 57368128
[(1S,2S,3S)-2-ethylsulfonyl-3-phenylcyclopropyl]methanol
CID 124746466
CID 158514754
CID 158514754
[(3Z)-5-phenylpenta-1,3-dien-3-yl]oxy-tri(propan-2-yl)silane
CID 164887906
(E,3R)-1-[(2S,4S,5S,6R)-5-(methoxymethoxy)-2-phenyl-6-[tri(propan-2-yl)silyloxymethyl]-1,3-dioxan-4-yl]pent-1-en-3-ol
CID 24850809
(2R,3aS,5aR,6R,8aS,8bS)-6-phenyl-2-[tri(propan-2-yl)silyloxymethyl]-2,3,3a,4,5a,6,8a,8b-octahydro-1H-acenaphthylen-5-one
CID 11080656
[(2R,3R,4R)-3,4-bis(phenylmethoxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 10885348

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol?
The IUPAC name of [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol (CID 134999545) is [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol.
What is the SMILES notation for [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol?
The canonical SMILES for [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol is CC(C)[Si](OC[C@@H]1[C@@H](CO)[C@H]1c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol?
The InChIKey is IVLHPOPVFJDQNL-VAMGGRTRSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-14(2)23(15(3)4,16(5)6)22-13-19-18(12-21)20(19)17-10-8-7-9-11-17/h7-11,14-16,18-21H,12-13H2,1-6H3/t18-,19-,20-/m1/s1.
What are the key properties of [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol?
[(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol has a molecular weight of 334.58 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-2-phenyl-3-[tri(propan-2-yl)silyloxymethyl]cyclopropyl]methanol is sourced from PubChem (CID 134999545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).