(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol

C20H38O2Si — CID 134945472

IUPAC(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1CC=C(C)C(O)(CO[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C20H38O2Si/c1-14(2)19-11-10-18(9)20(21,12-19)13-22-23(15(3)4,16(5)6)17(7)8/h10,15-17,19,21H,1,11-13H2,2-9H3/t19-,20?/m1/s1
InChIKeyMHSHASJWEQCOQE-FIWHBWSRSA-N
MW338.61 g/mol
LogP5.84
Rot. Bonds7

About (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol

(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol (PubChem CID 134945472) has the molecular formula C20H38O2Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol
PubChem CID134945472
Molecular FormulaC20H38O2Si
Molecular Weight338.61 g/mol
Exact Mass338.26
IUPAC Name(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol
SMILESC=C(C)[C@@H]1CC=C(C)C(O)(CO[Si](C(C)C)(C(C)C)C(C)C)C1
InChIInChI=1S/C20H38O2Si/c1-14(2)19-11-10-18(9)20(21,12-19)13-22-23(15(3)4,16(5)6)17(7)8/h10,15-17,19,21H,1,11-13H2,2-9H3/t19-,20?/m1/s1
InChIKeyMHSHASJWEQCOQE-FIWHBWSRSA-N
XLogP5.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol?
The IUPAC name of (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol (CID 134945472) is (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol?
The canonical SMILES for (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol is C=C(C)[C@@H]1CC=C(C)C(O)(CO[Si](C(C)C)(C(C)C)C(C)C)C1.
What is the InChIKey of (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol?
The InChIKey is MHSHASJWEQCOQE-FIWHBWSRSA-N. The full InChI is InChI=1S/C20H38O2Si/c1-14(2)19-11-10-18(9)20(21,12-19)13-22-23(15(3)4,16(5)6)17(7)8/h10,15-17,19,21H,1,11-13H2,2-9H3/t19-,20?/m1/s1.
What are the key properties of (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol?
(5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol has a molecular weight of 338.61 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-methyl-5-prop-1-en-2-yl-1-[tri(propan-2-yl)silyloxymethyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 134945472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).