[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal

C32H62O2Si — CID 88770783

IUPAC[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal
SMILESC=CCCCCCC=O.CCCCCCC=C[C@H]1CCC[C@@H]1CCCCC(CC)CO[Si](C)(C)C
InChIInChI=1S/C24H48OSi.C8H14O/c1-6-8-9-10-11-12-17-23-19-15-20-24(23)18-14-13-16-22(7-2)21-25-26(3,4)5;1-2-3-4-5-6-7-8-9/h12,17,22-24H,6-11,13-16,18-21H2,1-5H3;2,8H,1,3-7H2/t22?,23-,24-;/m0./s1
InChIKeyLOFMQFCLMPPDAO-ANVAUGETSA-N
MW506.93 g/mol
LogP10.69
Rot. Bonds21

About [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal

[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal (PubChem CID 88770783) has the molecular formula C32H62O2Si and a molecular weight of 506.93 g/mol. Its IUPAC name is [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal.

Molecular Properties

Compound Name[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal
PubChem CID88770783
Molecular FormulaC32H62O2Si
Molecular Weight506.93 g/mol
Exact Mass506.45
IUPAC Name[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal
SMILESC=CCCCCCC=O.CCCCCCC=C[C@H]1CCC[C@@H]1CCCCC(CC)CO[Si](C)(C)C
InChIInChI=1S/C24H48OSi.C8H14O/c1-6-8-9-10-11-12-17-23-19-15-20-24(23)18-14-13-16-22(7-2)21-25-26(3,4)5;1-2-3-4-5-6-7-8-9/h12,17,22-24H,6-11,13-16,18-21H2,1-5H3;2,8H,1,3-7H2/t22?,23-,24-;/m0./s1
InChIKeyLOFMQFCLMPPDAO-ANVAUGETSA-N
XLogP10.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.93
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal?
The IUPAC name of [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal (CID 88770783) is [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal.
What is the SMILES notation for [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal?
The canonical SMILES for [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal is C=CCCCCCC=O.CCCCCCC=C[C@H]1CCC[C@@H]1CCCCC(CC)CO[Si](C)(C)C.
What is the InChIKey of [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal?
The InChIKey is LOFMQFCLMPPDAO-ANVAUGETSA-N. The full InChI is InChI=1S/C24H48OSi.C8H14O/c1-6-8-9-10-11-12-17-23-19-15-20-24(23)18-14-13-16-22(7-2)21-25-26(3,4)5;1-2-3-4-5-6-7-8-9/h12,17,22-24H,6-11,13-16,18-21H2,1-5H3;2,8H,1,3-7H2/t22?,23-,24-;/m0./s1.
What are the key properties of [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal?
[2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal has a molecular weight of 506.93 g/mol, XLogP of 10.69, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-[(1S,2S)-2-oct-1-enylcyclopentyl]hexoxy]-trimethylsilane;oct-7-enal is sourced from PubChem (CID 88770783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).