(E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol

C17H34O — CID 101374149

IUPAC(E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol
SMILESCCC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\C)[C@H](O)CC
InChIInChI=1S/C17H34O/c1-7-9-13(3)10-14(4)11-15(5)12-16(6)17(18)8-2/h12-15,17-18H,7-11H2,1-6H3/b16-12+/t13-,14-,15-,17-/m1/s1
InChIKeyLNSIAKDKGRHKLN-OCBPEPKVSA-N
MW254.46 g/mol
LogP5.19
Rot. Bonds9

About (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol

(E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol (PubChem CID 101374149) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol.

Molecular Properties

Compound Name(E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol
PubChem CID101374149
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Name(E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol
SMILESCCC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\C)[C@H](O)CC
InChIInChI=1S/C17H34O/c1-7-9-13(3)10-14(4)11-15(5)12-16(6)17(18)8-2/h12-15,17-18H,7-11H2,1-6H3/b16-12+/t13-,14-,15-,17-/m1/s1
InChIKeyLNSIAKDKGRHKLN-OCBPEPKVSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol?
The IUPAC name of (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol (CID 101374149) is (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol.
What is the SMILES notation for (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol?
The canonical SMILES for (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol is CCC[C@@H](C)C[C@@H](C)C[C@@H](C)/C=C(\C)[C@H](O)CC.
What is the InChIKey of (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol?
The InChIKey is LNSIAKDKGRHKLN-OCBPEPKVSA-N. The full InChI is InChI=1S/C17H34O/c1-7-9-13(3)10-14(4)11-15(5)12-16(6)17(18)8-2/h12-15,17-18H,7-11H2,1-6H3/b16-12+/t13-,14-,15-,17-/m1/s1.
What are the key properties of (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol?
(E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol has a molecular weight of 254.46 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R,6R,8R,10R)-4,6,8,10-tetramethyltridec-4-en-3-ol is sourced from PubChem (CID 101374149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).