1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol

C19H36OSi — CID 101261971

IUPAC1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol
SMILESC=C=C(C(O)C1CCCCC1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-8-18(19(20)17-12-10-9-11-13-17)21(14(2)3,15(4)5)16(6)7/h14-17,19-20H,1,9-13H2,2-7H3
InChIKeyUHSVAKXKPHIZGF-UHFFFAOYSA-N
MW308.58 g/mol
LogP5.86
Rot. Bonds6

About 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol

1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol (PubChem CID 101261971) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol
PubChem CID101261971
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol
SMILESC=C=C(C(O)C1CCCCC1)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C19H36OSi/c1-8-18(19(20)17-12-10-9-11-13-17)21(14(2)3,15(4)5)16(6)7/h14-17,19-20H,1,9-13H2,2-7H3
InChIKeyUHSVAKXKPHIZGF-UHFFFAOYSA-N
XLogP5.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol with MolForge

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Related Compounds

(E)-1-cyclohexyl-4-trimethylsilylbut-3-en-1-ol
CID 12022452
3-Tri(propan-2-yl)silyldodeca-1,2-dien-4-ol
CID 85873275
1-Cyclohexyl-2-trimethylsilylbuta-2,3-dien-1-ol
CID 11138784
1-Cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol
CID 10055651
(E)-1-cyclohexyl-3-triethylsilylprop-2-en-1-ol
CID 10060901
(Z)-1-cyclohexyl-3-tributylstannyl-3-trimethylsilylprop-2-en-1-ol
CID 10458683
(1R)-1-cyclohexyl-2-trimethylsilylpenta-2,3-dien-1-ol
CID 10586052
(1R)-1-cyclohexyl-2-trimethylsilylbuta-2,3-dien-1-ol
CID 10846799
cis-(1R,2S)-2-[(E)-3-trimethylsilylprop-2-enyl]cyclohexan-1-ol
CID 10932774
(1R,2R,3R)-2-prop-2-enyl-3-trimethylsilylcyclohexan-1-ol
CID 10998343
1-Cyclohexyl-2-trimethylsilylprop-2-en-1-ol
CID 12425964
trans-(1R,2R)-2-(1-trimethylsilylprop-2-enyl)cyclohexan-1-ol
CID 14203372

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol?
The IUPAC name of 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol (CID 101261971) is 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol.
What is the SMILES notation for 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol?
The canonical SMILES for 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol is C=C=C(C(O)C1CCCCC1)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol?
The InChIKey is UHSVAKXKPHIZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi/c1-8-18(19(20)17-12-10-9-11-13-17)21(14(2)3,15(4)5)16(6)7/h14-17,19-20H,1,9-13H2,2-7H3.
What are the key properties of 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol?
1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol has a molecular weight of 308.58 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol is sourced from PubChem (CID 101261971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).