ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane

C19H38OSi — CID 102597574

IUPACditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
SMILESC=C(C)C([C@H]1CC[C@@H](C)C1)[Si](OC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-14(2)17(16-12-11-15(3)13-16)21(20-10,18(4,5)6)19(7,8)9/h15-17H,1,11-13H2,2-10H3/t15-,16+,17?/m1/s1
InChIKeyZFTHHHJFOCMRMM-GARXDOFDSA-N
MW310.60 g/mol
LogP6.56
Rot. Bonds4

About ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane

ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane (PubChem CID 102597574) has the molecular formula C19H38OSi and a molecular weight of 310.60 g/mol. Its IUPAC name is ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane.

Molecular Properties

Compound Nameditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
PubChem CID102597574
Molecular FormulaC19H38OSi
Molecular Weight310.60 g/mol
Exact Mass310.27
IUPAC Nameditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
SMILESC=C(C)C([C@H]1CC[C@@H](C)C1)[Si](OC)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C19H38OSi/c1-14(2)17(16-12-11-15(3)13-16)21(20-10,18(4,5)6)19(7,8)9/h15-17H,1,11-13H2,2-10H3/t15-,16+,17?/m1/s1
InChIKeyZFTHHHJFOCMRMM-GARXDOFDSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.60
LogP ≤ 56.56
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'}

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Related Compounds

4-(2-Methylidenecyclopentyl)but-1-ynoxy-tri(propan-2-yl)silane
CID 11324238
2-[(1R,3S)-3-ethylcyclopentyl]prop-2-enyl-dimethoxy-methylsilane
CID 173595371
trimethyl-[(E)-(3-octylcyclopentylidene)methyl]silane
CID 11747549
ditert-butyl-methoxy-[(1S)-2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
CID 44255400
ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[(1S)-2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
CID 44255430
trimethyl-[(Z)-(3-octylcyclopentylidene)methyl]silane
CID 100969378
ditert-butyl-[tert-butyl(dimethyl)silyl]oxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane
CID 102597575

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane?
The IUPAC name of ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane (CID 102597574) is ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane.
What is the SMILES notation for ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane?
The canonical SMILES for ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane is C=C(C)C([C@H]1CC[C@@H](C)C1)[Si](OC)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane?
The InChIKey is ZFTHHHJFOCMRMM-GARXDOFDSA-N. The full InChI is InChI=1S/C19H38OSi/c1-14(2)17(16-12-11-15(3)13-16)21(20-10,18(4,5)6)19(7,8)9/h15-17H,1,11-13H2,2-10H3/t15-,16+,17?/m1/s1.
What are the key properties of ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane?
ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane has a molecular weight of 310.60 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-methoxy-[2-methyl-1-[(1S,3R)-3-methylcyclopentyl]prop-2-enyl]silane is sourced from PubChem (CID 102597574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).