(4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol

C14H28O — CID 11117370

IUPAC(4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol
SMILESCCCC[C@H](O)[C@H](C=C(C)C)C(C)(C)C
InChIInChI=1S/C14H28O/c1-7-8-9-13(15)12(10-11(2)3)14(4,5)6/h10,12-13,15H,7-9H2,1-6H3/t12-,13-/m0/s1
InChIKeyIBYZMNBLOXRTRQ-STQMWFEESA-N
MW212.38 g/mol
LogP4.17
Rot. Bonds5

About (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol

(4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol (PubChem CID 11117370) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol.

Molecular Properties

Compound Name(4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol
PubChem CID11117370
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol
SMILESCCCC[C@H](O)[C@H](C=C(C)C)C(C)(C)C
InChIInChI=1S/C14H28O/c1-7-8-9-13(15)12(10-11(2)3)14(4,5)6/h10,12-13,15H,7-9H2,1-6H3/t12-,13-/m0/s1
InChIKeyIBYZMNBLOXRTRQ-STQMWFEESA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Sandalore
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Anhydrolutein I
CID 11226631
4,8-Dimethyl-7-nonen-2-ol
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CID 15984303
3,5,6,6-Tetramethyl-4-methyleneheptan-2-ol
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CID 53425103

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol?
The IUPAC name of (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol (CID 11117370) is (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol.
What is the SMILES notation for (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol?
The canonical SMILES for (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol is CCCC[C@H](O)[C@H](C=C(C)C)C(C)(C)C.
What is the InChIKey of (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol?
The InChIKey is IBYZMNBLOXRTRQ-STQMWFEESA-N. The full InChI is InChI=1S/C14H28O/c1-7-8-9-13(15)12(10-11(2)3)14(4,5)6/h10,12-13,15H,7-9H2,1-6H3/t12-,13-/m0/s1.
What are the key properties of (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol?
(4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol has a molecular weight of 212.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-tert-butyl-2-methylnon-2-en-5-ol is sourced from PubChem (CID 11117370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).