(4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol

C16H32O2Si — CID 10891402

IUPAC(4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol
SMILESC=CC[C@H](O)CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-9-15(17)11-10-14(2)12-13-18-19(6,7)16(3,4)5/h8,12,15,17H,1,9-11,13H2,2-7H3/b14-12+/t15-/m0/s1
InChIKeyRZYXIXVVCXKWME-ZQHYZAEZSA-N
MW284.52 g/mol
LogP4.67
Rot. Bonds8

About (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol

(4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol (PubChem CID 10891402) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol.

Molecular Properties

Compound Name(4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol
PubChem CID10891402
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol
SMILESC=CC[C@H](O)CC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-8-9-15(17)11-10-14(2)12-13-18-19(6,7)16(3,4)5/h8,12,15,17H,1,9-11,13H2,2-7H3/b14-12+/t15-/m0/s1
InChIKeyRZYXIXVVCXKWME-ZQHYZAEZSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.67
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

(1S,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohex-2-en-1-ol
CID 11696163
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706267
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienol
CID 129706328
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(1S,6R)-6-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 53483241
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol
CID 11295937
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
CID 11430610
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071

Frequently Asked Questions

What is the IUPAC name of (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol?
The IUPAC name of (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol (CID 10891402) is (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol.
What is the SMILES notation for (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol?
The canonical SMILES for (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol is C=CC[C@H](O)CC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol?
The InChIKey is RZYXIXVVCXKWME-ZQHYZAEZSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-9-15(17)11-10-14(2)12-13-18-19(6,7)16(3,4)5/h8,12,15,17H,1,9-11,13H2,2-7H3/b14-12+/t15-/m0/s1.
What are the key properties of (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol?
(4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol has a molecular weight of 284.52 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7E)-9-[tert-butyl(dimethyl)silyl]oxy-7-methylnona-1,7-dien-4-ol is sourced from PubChem (CID 10891402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).