trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane

C17H30O3Si — CID 66559895

IUPACtrimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane
SMILESC#CCO[C@H](C=C)C/C=C\[C@@H](C)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H30O3Si/c1-7-12-19-17(8-2)11-9-10-16(3)20-15-18-13-14-21(4,5)6/h1,8-10,16-17H,2,11-15H2,3-6H3/b10-9-/t16-,17-/m1/s1
InChIKeyXCGJVBHBNQRBFS-CZDHMLMNSA-N
MW310.51 g/mol
LogP3.85
Rot. Bonds12

About trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane

trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane (PubChem CID 66559895) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane
PubChem CID66559895
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Nametrimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane
SMILESC#CCO[C@H](C=C)C/C=C\[C@@H](C)OCOCC[Si](C)(C)C
InChIInChI=1S/C17H30O3Si/c1-7-12-19-17(8-2)11-9-10-16(3)20-15-18-13-14-21(4,5)6/h1,8-10,16-17H,2,11-15H2,3-6H3/b10-9-/t16-,17-/m1/s1
InChIKeyXCGJVBHBNQRBFS-CZDHMLMNSA-N
XLogP3.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane (CID 66559895) is trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane is C#CCO[C@H](C=C)C/C=C\[C@@H](C)OCOCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane?
The InChIKey is XCGJVBHBNQRBFS-CZDHMLMNSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-7-12-19-17(8-2)11-9-10-16(3)20-15-18-13-14-21(4,5)6/h1,8-10,16-17H,2,11-15H2,3-6H3/b10-9-/t16-,17-/m1/s1.
What are the key properties of trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane?
trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane has a molecular weight of 310.51 g/mol, XLogP of 3.85, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[(2R,3Z,6S)-6-prop-2-ynoxyocta-3,7-dien-2-yl]oxymethoxy]ethyl]silane is sourced from PubChem (CID 66559895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).