(E,4S,6R)-6,10-dimethylundec-2-en-4-ol

C13H26O — CID 22796797

IUPAC(E,4S,6R)-6,10-dimethylundec-2-en-4-ol
SMILESC/C=C/[C@@H](O)C[C@H](C)CCCC(C)C
InChIInChI=1S/C13H26O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5,7,11-14H,6,8-10H2,1-4H3/b7-5+/t12-,13-/m1/s1
InChIKeyZXIHUFSIWWYTEZ-MVTQWGDUSA-N
MW198.35 g/mol
LogP3.78
Rot. Bonds7

About (E,4S,6R)-6,10-dimethylundec-2-en-4-ol

(E,4S,6R)-6,10-dimethylundec-2-en-4-ol (PubChem CID 22796797) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (E,4S,6R)-6,10-dimethylundec-2-en-4-ol.

Molecular Properties

Compound Name(E,4S,6R)-6,10-dimethylundec-2-en-4-ol
PubChem CID22796797
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(E,4S,6R)-6,10-dimethylundec-2-en-4-ol
SMILESC/C=C/[C@@H](O)C[C@H](C)CCCC(C)C
InChIInChI=1S/C13H26O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5,7,11-14H,6,8-10H2,1-4H3/b7-5+/t12-,13-/m1/s1
InChIKeyZXIHUFSIWWYTEZ-MVTQWGDUSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,4S,6R)-6,10-dimethylundec-2-en-4-ol?
The IUPAC name of (E,4S,6R)-6,10-dimethylundec-2-en-4-ol (CID 22796797) is (E,4S,6R)-6,10-dimethylundec-2-en-4-ol.
What is the SMILES notation for (E,4S,6R)-6,10-dimethylundec-2-en-4-ol?
The canonical SMILES for (E,4S,6R)-6,10-dimethylundec-2-en-4-ol is C/C=C/[C@@H](O)C[C@H](C)CCCC(C)C.
What is the InChIKey of (E,4S,6R)-6,10-dimethylundec-2-en-4-ol?
The InChIKey is ZXIHUFSIWWYTEZ-MVTQWGDUSA-N. The full InChI is InChI=1S/C13H26O/c1-5-7-13(14)10-12(4)9-6-8-11(2)3/h5,7,11-14H,6,8-10H2,1-4H3/b7-5+/t12-,13-/m1/s1.
What are the key properties of (E,4S,6R)-6,10-dimethylundec-2-en-4-ol?
(E,4S,6R)-6,10-dimethylundec-2-en-4-ol has a molecular weight of 198.35 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S,6R)-6,10-dimethylundec-2-en-4-ol is sourced from PubChem (CID 22796797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).