(4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol

C15H30OSi — CID 177406065

IUPAC(4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol
SMILESC=CC[C@H](O)/C(=C/CCCCC)C[Si](C)(C)C
InChIInChI=1S/C15H30OSi/c1-6-8-9-10-12-14(13-17(3,4)5)15(16)11-7-2/h7,12,15-16H,2,6,8-11,13H2,1,3-5H3/b14-12+/t15-/m0/s1
InChIKeyXOPGINQFCKRONR-ZQHYZAEZSA-N
MW254.49 g/mol
LogP4.77
Rot. Bonds9

About (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol

(4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol (PubChem CID 177406065) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol.

Molecular Properties

Compound Name(4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol
PubChem CID177406065
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Name(4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol
SMILESC=CC[C@H](O)/C(=C/CCCCC)C[Si](C)(C)C
InChIInChI=1S/C15H30OSi/c1-6-8-9-10-12-14(13-17(3,4)5)15(16)11-7-2/h7,12,15-16H,2,6,8-11,13H2,1,3-5H3/b14-12+/t15-/m0/s1
InChIKeyXOPGINQFCKRONR-ZQHYZAEZSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

(3E)-3-hexylnona-3,8-dien-2-ol
CID 101365454
3-propyldodec-3-en-2-ol
CID 71375191
3-prop-2-enyloctan-2-ol
CID 174661731
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
(4R)-dodec-1-en-4-ol
CID 11074077
[(E)-dodec-6-en-6-yl]-trimethylsilane
CID 15938239
heptadeca-1,5,6-trien-4-ol
CID 25179794
(3E)-3-methylnona-1,3-diene
CID 13382655
4-ethyl-5-propylnona-1,5-diene
CID 173391787
nonadec-18-en-7-ol
CID 54362965
(9S)-heptadec-1-en-9-ol
CID 86644250

Frequently Asked Questions

What is the IUPAC name of (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol?
The IUPAC name of (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol (CID 177406065) is (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol.
What is the SMILES notation for (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol?
The canonical SMILES for (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol is C=CC[C@H](O)/C(=C/CCCCC)C[Si](C)(C)C.
What is the InChIKey of (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol?
The InChIKey is XOPGINQFCKRONR-ZQHYZAEZSA-N. The full InChI is InChI=1S/C15H30OSi/c1-6-8-9-10-12-14(13-17(3,4)5)15(16)11-7-2/h7,12,15-16H,2,6,8-11,13H2,1,3-5H3/b14-12+/t15-/m0/s1.
What are the key properties of (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol?
(4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol has a molecular weight of 254.49 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5Z)-5-(trimethylsilylmethyl)undeca-1,5-dien-4-ol is sourced from PubChem (CID 177406065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).