(E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one

C14H26O2 — CID 6437436

IUPAC(E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one
SMILESCC(=O)/C(C)=C/CC(C)CCCC(C)(C)O
InChIInChI=1S/C14H26O2/c1-11(7-6-10-14(4,5)16)8-9-12(2)13(3)15/h9,11,16H,6-8,10H2,1-5H3/b12-9+
InChIKeyZYZZYMDGACMDKZ-FMIVXFBMSA-N
MW226.36 g/mol
LogP3.49
Rot. Bonds7

About (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one

(E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one (PubChem CID 6437436) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one.

Molecular Properties

Compound Name(E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one
PubChem CID6437436
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one
SMILESCC(=O)/C(C)=C/CC(C)CCCC(C)(C)O
InChIInChI=1S/C14H26O2/c1-11(7-6-10-14(4,5)16)8-9-12(2)13(3)15/h9,11,16H,6-8,10H2,1-5H3/b12-9+
InChIKeyZYZZYMDGACMDKZ-FMIVXFBMSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one?
The IUPAC name of (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one (CID 6437436) is (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one.
What is the SMILES notation for (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one?
The canonical SMILES for (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one is CC(=O)/C(C)=C/CC(C)CCCC(C)(C)O.
What is the InChIKey of (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one?
The InChIKey is ZYZZYMDGACMDKZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(7-6-10-14(4,5)16)8-9-12(2)13(3)15/h9,11,16H,6-8,10H2,1-5H3/b12-9+.
What are the key properties of (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one?
(E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one has a molecular weight of 226.36 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-hydroxy-3,6,10-trimethylundec-3-en-2-one is sourced from PubChem (CID 6437436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).