(2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol

C14H26O2 — CID 46894986

IUPAC(2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol
SMILESCC(C)=CCC/C(C)=C/CC[C@@](C)(O)CO
InChIInChI=1S/C14H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4,16)11-15/h7,9,15-16H,5-6,8,10-11H2,1-4H3/b13-9+/t14-/m1/s1
InChIKeyRMVXPDDACVUKSP-KADHNRKRSA-N
MW226.36 g/mol
LogP3.20
Rot. Bonds7

About (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol

(2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol (PubChem CID 46894986) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol.

Molecular Properties

Compound Name(2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol
PubChem CID46894986
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol
SMILESCC(C)=CCC/C(C)=C/CC[C@@](C)(O)CO
InChIInChI=1S/C14H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4,16)11-15/h7,9,15-16H,5-6,8,10-11H2,1-4H3/b13-9+/t14-/m1/s1
InChIKeyRMVXPDDACVUKSP-KADHNRKRSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.20
H-Bond Donors ≤ 52
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 (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol?
The IUPAC name of (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol (CID 46894986) is (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol.
What is the SMILES notation for (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol?
The canonical SMILES for (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol is CC(C)=CCC/C(C)=C/CC[C@@](C)(O)CO.
What is the InChIKey of (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol?
The InChIKey is RMVXPDDACVUKSP-KADHNRKRSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(2)7-5-8-13(3)9-6-10-14(4,16)11-15/h7,9,15-16H,5-6,8,10-11H2,1-4H3/b13-9+/t14-/m1/s1.
What are the key properties of (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol?
(2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol has a molecular weight of 226.36 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5E)-2,6,10-trimethylundeca-5,9-diene-1,2-diol is sourced from PubChem (CID 46894986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).