1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol

C19H38OSi — CID 101490647

IUPAC1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol
SMILESCC(C)[Si](C/C=C/CC1(O)CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H38OSi/c1-16(2)21(17(3)4,18(5)6)15-11-10-14-19(20)12-8-7-9-13-19/h10-11,16-18,20H,7-9,12-15H2,1-6H3/b11-10+
InChIKeyYLYPIIJBLPZEGF-ZHACJKMWSA-N
MW310.60 g/mol
LogP6.31
Rot. Bonds7

About 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol

1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol (PubChem CID 101490647) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol
PubChem CID101490647
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Name1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol
SMILESCC(C)[Si](C/C=C/CC1(O)CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C19H38OSi/c1-16(2)21(17(3)4,18(5)6)15-11-10-14-19(20)12-8-7-9-13-19/h10-11,16-18,20H,7-9,12-15H2,1-6H3/b11-10+
InChIKeyYLYPIIJBLPZEGF-ZHACJKMWSA-N
XLogP6.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol (CID 101490647) is 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol is CC(C)[Si](C/C=C/CC1(O)CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol?
The InChIKey is YLYPIIJBLPZEGF-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H38OSi/c1-16(2)21(17(3)4,18(5)6)15-11-10-14-19(20)12-8-7-9-13-19/h10-11,16-18,20H,7-9,12-15H2,1-6H3/b11-10+.
What are the key properties of 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol?
1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol has a molecular weight of 310.60 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-tri(propan-2-yl)silylbut-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 101490647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).