(4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine

C16H30O2Si — CID 134999539

IUPAC(4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine
SMILESC/C=C/[C@H]1C=C[C@H](CCC)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C16H30O2Si/c1-7-9-15-11-12-16(10-8-2)18-19(17-15,13(3)4)14(5)6/h7,9,11-16H,8,10H2,1-6H3/b9-7+/t15-,16-/m0/s1
InChIKeySEXAFLRWHFNNGZ-GFXFGIRVSA-N
MW282.50 g/mol
LogP4.97
Rot. Bonds5

About (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine

(4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine (PubChem CID 134999539) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine.

Molecular Properties

Compound Name(4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine
PubChem CID134999539
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine
SMILESC/C=C/[C@H]1C=C[C@H](CCC)O[Si](C(C)C)(C(C)C)O1
InChIInChI=1S/C16H30O2Si/c1-7-9-15-11-12-16(10-8-2)18-19(17-15,13(3)4)14(5)6/h7,9,11-16H,8,10H2,1-6H3/b9-7+/t15-,16-/m0/s1
InChIKeySEXAFLRWHFNNGZ-GFXFGIRVSA-N
XLogP4.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.97
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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Related Compounds

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CID 10977584
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CID 9815574
tert-Butyl(cyclohex-2-enyloxy)dimethylsilane
CID 11085130
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-[(1S)-cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12445093
Cyclohept-2-en-1-yloxy(trimethyl)silane
CID 12504316
tert-butyl-[(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 15110385
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Trimethylsilyloxyoct-3-ene
CID 5353183
2-Dimethylisopropylsilyloxyoct-3-ene
CID 5353187
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190

Frequently Asked Questions

What is the IUPAC name of (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine?
The IUPAC name of (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine (CID 134999539) is (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine.
What is the SMILES notation for (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine?
The canonical SMILES for (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine is C/C=C/[C@H]1C=C[C@H](CCC)O[Si](C(C)C)(C(C)C)O1.
What is the InChIKey of (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine?
The InChIKey is SEXAFLRWHFNNGZ-GFXFGIRVSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-7-9-15-11-12-16(10-8-2)18-19(17-15,13(3)4)14(5)6/h7,9,11-16H,8,10H2,1-6H3/b9-7+/t15-,16-/m0/s1.
What are the key properties of (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine?
(4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine has a molecular weight of 282.50 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,7S)-2,2-di(propan-2-yl)-4-[(E)-prop-1-enyl]-7-propyl-4,7-dihydro-1,3,2-dioxasilepine is sourced from PubChem (CID 134999539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).