(E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol

C14H26O2 — CID 138975678

IUPAC(E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol
SMILESCC(/C=C/C1CCCO1)CCCC(C)(C)O
InChIInChI=1S/C14H26O2/c1-12(6-4-10-14(2,3)15)8-9-13-7-5-11-16-13/h8-9,12-13,15H,4-7,10-11H2,1-3H3/b9-8+
InChIKeyARZYRBLIPQFKKV-CMDGGOBGSA-N
MW226.36 g/mol
LogP3.30
Rot. Bonds6

About (E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol

(E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol (PubChem CID 138975678) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol.

Molecular Properties

Compound Name(E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol
PubChem CID138975678
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol
SMILESCC(/C=C/C1CCCO1)CCCC(C)(C)O
InChIInChI=1S/C14H26O2/c1-12(6-4-10-14(2,3)15)8-9-13-7-5-11-16-13/h8-9,12-13,15H,4-7,10-11H2,1-3H3/b9-8+
InChIKeyARZYRBLIPQFKKV-CMDGGOBGSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.30
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)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol?
The IUPAC name of (E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol (CID 138975678) is (E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol.
What is the SMILES notation for (E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol?
The canonical SMILES for (E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol is CC(/C=C/C1CCCO1)CCCC(C)(C)O.
What is the InChIKey of (E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol?
The InChIKey is ARZYRBLIPQFKKV-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(6-4-10-14(2,3)15)8-9-13-7-5-11-16-13/h8-9,12-13,15H,4-7,10-11H2,1-3H3/b9-8+.
What are the key properties of (E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol?
(E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol has a molecular weight of 226.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dimethyl-8-(oxolan-2-yl)oct-7-en-2-ol is sourced from PubChem (CID 138975678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).