(4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene

C19H36OSi — CID 11823011

IUPAC(4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene
SMILESCC(C)[C@H]1C[Si](C(C)(C)C)(C(C)(C)C)OC12C=CCCC2
InChIInChI=1S/C19H36OSi/c1-15(2)16-14-21(17(3,4)5,18(6,7)8)20-19(16)12-10-9-11-13-19/h10,12,15-16H,9,11,13-14H2,1-8H3/t16-,19?/m1/s1
InChIKeyPWCRKYSWERIKBQ-VTBWFHPJSA-N
MW308.58 g/mol
LogP6.31
Rot. Bonds1

About (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene

(4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene (PubChem CID 11823011) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene
PubChem CID11823011
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Name(4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene
SMILESCC(C)[C@H]1C[Si](C(C)(C)C)(C(C)(C)C)OC12C=CCCC2
InChIInChI=1S/C19H36OSi/c1-15(2)16-14-21(17(3,4)5,18(6,7)8)20-19(16)12-10-9-11-13-19/h10,12,15-16H,9,11,13-14H2,1-8H3/t16-,19?/m1/s1
InChIKeyPWCRKYSWERIKBQ-VTBWFHPJSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-2,2-ditert-butyl-5-methyl-5-(2-methylprop-1-enyl)-4-propan-2-yloxasilolane
CID 100957064
(1R,3S,8aR)-3-deuterio-8a-methyl-1-propan-2-yl-1,2,3,6,7,8-hexahydroazulen-3a-ol
CID 136913170
1-(1-trimethylsilylcyclohex-2-en-1-yl)ethanol
CID 85385466
S-[(1S)-1-methylcyclohex-2-en-1-yl] N,N-di(propan-2-yl)carbamothioate
CID 101224631
1-(3-methylbutan-2-yl)cyclohex-2-en-1-ol
CID 126999290
1-methyl-6-propan-2-ylcyclohex-2-en-1-ol
CID 141289275
bis(1-tert-butylcyclohex-2-en-1-yl) carbonate
CID 175202256
3,3-bis(tert-butylperoxy)cyclohexene
CID 141189915
(1-methylcyclohex-2-en-1-yl) 2,2,3-trimethylbutanoate
CID 21131315
(3S)-1-oxaspiro[2.5]oct-4-ene
CID 102418983
3-methyl-3-methylcyclohexene
CID 163592791
1-(5,5-dimethylhexa-1,3-diynyl)cyclohex-2-en-1-ol
CID 10921589

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene?
The IUPAC name of (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene (CID 11823011) is (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene.
What is the SMILES notation for (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene?
The canonical SMILES for (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene is CC(C)[C@H]1C[Si](C(C)(C)C)(C(C)(C)C)OC12C=CCCC2.
What is the InChIKey of (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene?
The InChIKey is PWCRKYSWERIKBQ-VTBWFHPJSA-N. The full InChI is InChI=1S/C19H36OSi/c1-15(2)16-14-21(17(3,4)5,18(6,7)8)20-19(16)12-10-9-11-13-19/h10,12,15-16H,9,11,13-14H2,1-8H3/t16-,19?/m1/s1.
What are the key properties of (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene?
(4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene has a molecular weight of 308.58 g/mol, XLogP of 6.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-ditert-butyl-4-propan-2-yl-1-oxa-2-silaspiro[4.5]dec-6-ene is sourced from PubChem (CID 11823011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).