(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol

C13H28O2Si — CID 154716625

IUPAC(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol
SMILESC=CCC[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-8-9-12(14)10-11-15-16(5,6)13(2,3)4/h7,12,14H,1,8-11H2,2-6H3/t12-/m0/s1
InChIKeyCPYGRWWPCWIWBA-LBPRGKRZSA-N
MW244.45 g/mol
LogP3.73
Rot. Bonds7

About (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol

(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol (PubChem CID 154716625) has the molecular formula C13H28O2Si and a molecular weight of 244.45 g/mol. Its IUPAC name is (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol.

Molecular Properties

Compound Name(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol
PubChem CID154716625
Molecular FormulaC13H28O2Si
Molecular Weight244.45 g/mol
Exact Mass244.19
IUPAC Name(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol
SMILESC=CCC[C@H](O)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O2Si/c1-7-8-9-12(14)10-11-15-16(5,6)13(2,3)4/h7,12,14H,1,8-11H2,2-6H3/t12-/m0/s1
InChIKeyCPYGRWWPCWIWBA-LBPRGKRZSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol?
The IUPAC name of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol (CID 154716625) is (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol.
What is the SMILES notation for (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol?
The canonical SMILES for (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol is C=CCC[C@H](O)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol?
The InChIKey is CPYGRWWPCWIWBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H28O2Si/c1-7-8-9-12(14)10-11-15-16(5,6)13(2,3)4/h7,12,14H,1,8-11H2,2-6H3/t12-/m0/s1.
What are the key properties of (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol?
(3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol has a molecular weight of 244.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[tert-butyl(dimethyl)silyl]oxyhept-6-en-3-ol is sourced from PubChem (CID 154716625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).