(1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol

C15H26O2 — CID 57340577

IUPAC(1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol
SMILESC/C1=C\CC(O)/C(C)=C/[C@@H](O)C(C)(C)CCC1
InChIInChI=1S/C15H26O2/c1-11-6-5-9-15(3,4)14(17)10-12(2)13(16)8-7-11/h7,10,13-14,16-17H,5-6,8-9H2,1-4H3/b11-7+,12-10+/t13?,14-/m1/s1
InChIKeyGYUGUGKADPBAJH-QHUJHSMGSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds

About (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol

(1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol (PubChem CID 57340577) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol.

Molecular Properties

Compound Name(1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol
PubChem CID57340577
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol
SMILESC/C1=C\CC(O)/C(C)=C/[C@@H](O)C(C)(C)CCC1
InChIInChI=1S/C15H26O2/c1-11-6-5-9-15(3,4)14(17)10-12(2)13(16)8-7-11/h7,10,13-14,16-17H,5-6,8-9H2,1-4H3/b11-7+,12-10+/t13?,14-/m1/s1
InChIKeyGYUGUGKADPBAJH-QHUJHSMGSA-N
XLogP3.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
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 (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol?
The IUPAC name of (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol (CID 57340577) is (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol.
What is the SMILES notation for (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol?
The canonical SMILES for (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol is C/C1=C\CC(O)/C(C)=C/[C@@H](O)C(C)(C)CCC1.
What is the InChIKey of (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol?
The InChIKey is GYUGUGKADPBAJH-QHUJHSMGSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-6-5-9-15(3,4)14(17)10-12(2)13(16)8-7-11/h7,10,13-14,16-17H,5-6,8-9H2,1-4H3/b11-7+,12-10+/t13?,14-/m1/s1.
What are the key properties of (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol?
(1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,6E)-3,7,11,11-tetramethylcycloundeca-2,6-diene-1,4-diol is sourced from PubChem (CID 57340577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).