(E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol

C15H26O2Si — CID 101268557

IUPAC(E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol
SMILESC[Si](C)(C)C#CCCC(O)/C=C/C1(CCO)CC1
InChIInChI=1S/C15H26O2Si/c1-18(2,3)13-5-4-6-14(17)7-8-15(9-10-15)11-12-16/h7-8,14,16-17H,4,6,9-12H2,1-3H3/b8-7+
InChIKeyCJTQLWGBEVLNPN-BQYQJAHWSA-N
MW266.46 g/mol
LogP2.73
Rot. Bonds6

About (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol

(E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol (PubChem CID 101268557) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol.

Molecular Properties

Compound Name(E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol
PubChem CID101268557
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol
SMILESC[Si](C)(C)C#CCCC(O)/C=C/C1(CCO)CC1
InChIInChI=1S/C15H26O2Si/c1-18(2,3)13-5-4-6-14(17)7-8-15(9-10-15)11-12-16/h7-8,14,16-17H,4,6,9-12H2,1-3H3/b8-7+
InChIKeyCJTQLWGBEVLNPN-BQYQJAHWSA-N
XLogP2.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol?
The IUPAC name of (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol (CID 101268557) is (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol.
What is the SMILES notation for (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol?
The canonical SMILES for (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol is C[Si](C)(C)C#CCCC(O)/C=C/C1(CCO)CC1.
What is the InChIKey of (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol?
The InChIKey is CJTQLWGBEVLNPN-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-18(2,3)13-5-4-6-14(17)7-8-15(9-10-15)11-12-16/h7-8,14,16-17H,4,6,9-12H2,1-3H3/b8-7+.
What are the key properties of (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol?
(E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol has a molecular weight of 266.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[1-(2-hydroxyethyl)cyclopropyl]-7-trimethylsilylhept-1-en-6-yn-3-ol is sourced from PubChem (CID 101268557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).