trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane

C17H32OSi — CID 10731481

IUPACtrimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane
SMILESCCCCC[C@H]1CCCCC[C@H](C#C[Si](C)(C)C)O1
InChIInChI=1S/C17H32OSi/c1-5-6-8-11-16-12-9-7-10-13-17(18-16)14-15-19(2,3)4/h16-17H,5-13H2,1-4H3/t16-,17+/m0/s1
InChIKeyGJUGXAYCRSVVPV-DLBZAZTESA-N
MW280.53 g/mol
LogP5.17
Rot. Bonds4

About trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane

trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane (PubChem CID 10731481) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane
PubChem CID10731481
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametrimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane
SMILESCCCCC[C@H]1CCCCC[C@H](C#C[Si](C)(C)C)O1
InChIInChI=1S/C17H32OSi/c1-5-6-8-11-16-12-9-7-10-13-17(18-16)14-15-19(2,3)4/h16-17H,5-13H2,1-4H3/t16-,17+/m0/s1
InChIKeyGJUGXAYCRSVVPV-DLBZAZTESA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(15,15-Difluoro-18-propan-2-yloxyoctadec-1-ynyl)-trimethylsilane
CID 170689021
trimethyl-[2-[(2R,5S)-5-pentyloxolan-2-yl]ethynyl]silane
CID 10490147
trimethyl-[2-[(2R,6S)-6-pentyloxan-2-yl]ethynyl]silane
CID 10586947
trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane
CID 10611837
3-Methoxynon-1-ynyl(trimethyl)silane
CID 44603876
2-(6-Hexyloxan-2-yl)ethynyl-tri(propan-2-yl)silane
CID 134937269
3-[(2R,3R)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane
CID 71623347
(4-(Cyclooct-2-ynyloxy)butyl)triethoxysilane
CID 86664259
5-Cyclooct-2-yn-1-yloxypentyl(trimethoxy)silane
CID 87414469
3-[(2S,3S)-3-heptyloxiran-2-yl]prop-1-ynyl-trimethylsilane
CID 141368057
Tri(propan-2-yl)-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
CID 170688768
Ethyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
CID 170688772

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane (CID 10731481) is trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane is CCCCC[C@H]1CCCCC[C@H](C#C[Si](C)(C)C)O1.
What is the InChIKey of trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane?
The InChIKey is GJUGXAYCRSVVPV-DLBZAZTESA-N. The full InChI is InChI=1S/C17H32OSi/c1-5-6-8-11-16-12-9-7-10-13-17(18-16)14-15-19(2,3)4/h16-17H,5-13H2,1-4H3/t16-,17+/m0/s1.
What are the key properties of trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane?
trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane has a molecular weight of 280.53 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2R,8S)-8-pentyloxocan-2-yl]ethynyl]silane is sourced from PubChem (CID 10731481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).