[(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane

C18H36O2Si — CID 102162648

IUPAC[(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane
SMILESC=CC[C@@]1(CO[Si](C(C)C)(C(C)C)C(C)C)COC(C)C1
InChIInChI=1S/C18H36O2Si/c1-9-10-18(11-17(8)19-12-18)13-20-21(14(2)3,15(4)5)16(6)7/h9,14-17H,1,10-13H2,2-8H3/t17?,18-/m0/s1
InChIKeyJZSQAGVCPPFQBG-ZVAWYAOSSA-N
MW312.57 g/mol
LogP5.55
Rot. Bonds8

About [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane

[(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 102162648) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane
PubChem CID102162648
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name[(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane
SMILESC=CC[C@@]1(CO[Si](C(C)C)(C(C)C)C(C)C)COC(C)C1
InChIInChI=1S/C18H36O2Si/c1-9-10-18(11-17(8)19-12-18)13-20-21(14(2)3,15(4)5)16(6)7/h9,14-17H,1,10-13H2,2-8H3/t17?,18-/m0/s1
InChIKeyJZSQAGVCPPFQBG-ZVAWYAOSSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane (CID 102162648) is [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane is C=CC[C@@]1(CO[Si](C(C)C)(C(C)C)C(C)C)COC(C)C1.
What is the InChIKey of [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is JZSQAGVCPPFQBG-ZVAWYAOSSA-N. The full InChI is InChI=1S/C18H36O2Si/c1-9-10-18(11-17(8)19-12-18)13-20-21(14(2)3,15(4)5)16(6)7/h9,14-17H,1,10-13H2,2-8H3/t17?,18-/m0/s1.
What are the key properties of [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane?
[(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 312.57 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-methyl-3-prop-2-enyloxolan-3-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 102162648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).