trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane

C16H30OSi — CID 10611837

IUPACtrimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane
SMILESCCCCC[C@H]1CCCC[C@H](C#C[Si](C)(C)C)O1
InChIInChI=1S/C16H30OSi/c1-5-6-7-10-15-11-8-9-12-16(17-15)13-14-18(2,3)4/h15-16H,5-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyAVKSFJNUUDWEBM-JKSUJKDBSA-N
MW266.50 g/mol
LogP4.78
Rot. Bonds4

About trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane

trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane (PubChem CID 10611837) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane
PubChem CID10611837
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametrimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane
SMILESCCCCC[C@H]1CCCC[C@H](C#C[Si](C)(C)C)O1
InChIInChI=1S/C16H30OSi/c1-5-6-7-10-15-11-8-9-12-16(17-15)13-14-18(2,3)4/h15-16H,5-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyAVKSFJNUUDWEBM-JKSUJKDBSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.50
LogP ≤ 54.78
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

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,8S)-8-pentyloxocan-2-yl]ethynyl]silane
CID 10731481
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
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
Tert-butyl-dimethyl-[13-(3-propan-2-yloxypropoxy)tridec-1-ynyl]silane
CID 170688804
Trimethyl-[16-(2-propan-2-yloxyethoxy)hexadec-1-ynyl]silane
CID 170688837
Ethyl-dimethyl-[14-(2-propan-2-yloxyethoxy)tetradec-1-ynyl]silane
CID 170688855

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane (CID 10611837) is trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane is CCCCC[C@H]1CCCC[C@H](C#C[Si](C)(C)C)O1.
What is the InChIKey of trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane?
The InChIKey is AVKSFJNUUDWEBM-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H30OSi/c1-5-6-7-10-15-11-8-9-12-16(17-15)13-14-18(2,3)4/h15-16H,5-12H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane?
trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane has a molecular weight of 266.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2R,7S)-7-pentyloxepan-2-yl]ethynyl]silane is sourced from PubChem (CID 10611837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).