(E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one

C18H34O2 — CID 162931464

IUPAC(E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one
SMILESC/C(=C\CC[C@H](C)O)CCC[C@@H](C)CC(=O)CC(C)C
InChIInChI=1S/C18H34O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9,14,16-17,19H,6-8,10-13H2,1-5H3/b15-9+/t16-,17+/m1/s1
InChIKeyGDRMRPKWVXLGBG-PETGEZQVSA-N
MW282.47 g/mol
LogP4.91
Rot. Bonds11

About (E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one

(E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one (PubChem CID 162931464) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is (E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one.

Molecular Properties

Compound Name(E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one
PubChem CID162931464
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name(E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one
SMILESC/C(=C\CC[C@H](C)O)CCC[C@@H](C)CC(=O)CC(C)C
InChIInChI=1S/C18H34O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9,14,16-17,19H,6-8,10-13H2,1-5H3/b15-9+/t16-,17+/m1/s1
InChIKeyGDRMRPKWVXLGBG-PETGEZQVSA-N
XLogP4.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one?
The IUPAC name of (E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one (CID 162931464) is (E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one.
What is the SMILES notation for (E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one?
The canonical SMILES for (E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one is C/C(=C\CC[C@H](C)O)CCC[C@@H](C)CC(=O)CC(C)C.
What is the InChIKey of (E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one?
The InChIKey is GDRMRPKWVXLGBG-PETGEZQVSA-N. The full InChI is InChI=1S/C18H34O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9,14,16-17,19H,6-8,10-13H2,1-5H3/b15-9+/t16-,17+/m1/s1.
What are the key properties of (E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one?
(E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one has a molecular weight of 282.47 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R,14S)-14-hydroxy-2,6,10-trimethylpentadec-10-en-4-one is sourced from PubChem (CID 162931464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).