(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol

C14H30O2Si — CID 12027944

IUPAC(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC
InChIInChI=1S/C14H30O2Si/c1-8-9-10-13(15)12(2)11-16-17(6,7)14(3,4)5/h13,15H,2,8-11H2,1,3-7H3/t13-/m0/s1
InChIKeyMXAPWLOLGWDMJX-ZDUSSCGKSA-N
MW258.48 g/mol
LogP4.12
Rot. Bonds7

About (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol

(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol (PubChem CID 12027944) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol.

Molecular Properties

Compound Name(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol
PubChem CID12027944
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Name(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC
InChIInChI=1S/C14H30O2Si/c1-8-9-10-13(15)12(2)11-16-17(6,7)14(3,4)5/h13,15H,2,8-11H2,1,3-7H3/t13-/m0/s1
InChIKeyMXAPWLOLGWDMJX-ZDUSSCGKSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.12
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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Related Compounds

2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
4-Methylideneoctane-1,3-diol
CID 12022132
2-(Trimethylsilylmethyl)dec-1-en-4-ol
CID 12930294
CID 11550185
CID 11550185
3-Trimethylsilyldodeca-1,2-dien-4-ol
CID 12670488
3-(Trimethylsilyl)nona-1,2-dien-4-ol
CID 13211411
3-Trimethylsilyldeca-1,2-dien-4-ol
CID 13357609
4-[Tert-butyl(dimethyl)silyl]oxynona-7,8-dien-2-ol
CID 13761845
(3S,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-1-en-3-ol
CID 15602533
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxyoct-7-en-4-ol
CID 16084239
4-[Tert-butyl(dimethyl)silyl]oxy-6-methyl-2-methylidenehept-6-en-1-ol
CID 16115546

Frequently Asked Questions

What is the IUPAC name of (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol?
The IUPAC name of (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol (CID 12027944) is (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol.
What is the SMILES notation for (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol?
The canonical SMILES for (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol is C=C(CO[Si](C)(C)C(C)(C)C)[C@@H](O)CCCC.
What is the InChIKey of (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol?
The InChIKey is MXAPWLOLGWDMJX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-8-9-10-13(15)12(2)11-16-17(6,7)14(3,4)5/h13,15H,2,8-11H2,1,3-7H3/t13-/m0/s1.
What are the key properties of (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol?
(3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol has a molecular weight of 258.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]hept-1-en-3-ol is sourced from PubChem (CID 12027944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).