3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol

C15H28OSi — CID 90692046

IUPAC3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol
SMILESCCC(O)(CC(C)C)[Si](C)(C1CC1)C1C2CC21
InChIInChI=1S/C15H28OSi/c1-5-15(16,9-10(2)3)17(4,11-6-7-11)14-12-8-13(12)14/h10-14,16H,5-9H2,1-4H3
InChIKeyXVSKZEAVNDPMGS-UHFFFAOYSA-N
MW252.47 g/mol
LogP3.98
Rot. Bonds6

About 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol

3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol (PubChem CID 90692046) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol.

Molecular Properties

Compound Name3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol
PubChem CID90692046
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol
SMILESCCC(O)(CC(C)C)[Si](C)(C1CC1)C1C2CC21
InChIInChI=1S/C15H28OSi/c1-5-15(16,9-10(2)3)17(4,11-6-7-11)14-12-8-13(12)14/h10-14,16H,5-9H2,1-4H3
InChIKeyXVSKZEAVNDPMGS-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dicyclopropyl(trimethylsilyl)methanol
CID 68329680
2-[Dicyclopropyl(propan-2-yl)silyl]-4-methylpentan-2-ol
CID 90771803
4-Methyl-2-tricyclopropylsilylpentan-2-ol
CID 91097611
2-[Dicyclopropyl(ethyl)silyl]-4-methylpentan-2-ol
CID 91250609
(1R)-1-cyclopropyl-2-methyl-1-(1-trimethylsilylcyclopropyl)propan-1-ol
CID 99771583
(1S)-1-cyclopropyl-2-methyl-1-(1-trimethylsilylcyclopropyl)propan-1-ol
CID 99771584
1-Cyclopropyl-2-methyl-1-[1-(trimethylsilyl)cyclopropyl]-1-propanol
CID 117069581

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol?
The IUPAC name of 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol (CID 90692046) is 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol.
What is the SMILES notation for 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol?
The canonical SMILES for 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol is CCC(O)(CC(C)C)[Si](C)(C1CC1)C1C2CC21.
What is the InChIKey of 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol?
The InChIKey is XVSKZEAVNDPMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OSi/c1-5-15(16,9-10(2)3)17(4,11-6-7-11)14-12-8-13(12)14/h10-14,16H,5-9H2,1-4H3.
What are the key properties of 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol?
3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol has a molecular weight of 252.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[1.1.0]butanyl-cyclopropyl-methylsilyl)-5-methylhexan-3-ol is sourced from PubChem (CID 90692046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).