(E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol

C14H26O3 — CID 11402244

IUPAC(E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol
SMILESC/C(=C\CCC(C)(C)OC1CCCCO1)CO
InChIInChI=1S/C14H26O3/c1-12(11-15)7-6-9-14(2,3)17-13-8-4-5-10-16-13/h7,13,15H,4-6,8-11H2,1-3H3/b12-7+
InChIKeyZQSFXSJEYJMHIE-KPKJPENVSA-N
MW242.36 g/mol
LogP3.03
Rot. Bonds6

About (E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol

(E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol (PubChem CID 11402244) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is (E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol.

Molecular Properties

Compound Name(E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol
PubChem CID11402244
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name(E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol
SMILESC/C(=C\CCC(C)(C)OC1CCCCO1)CO
InChIInChI=1S/C14H26O3/c1-12(11-15)7-6-9-14(2,3)17-13-8-4-5-10-16-13/h7,13,15H,4-6,8-11H2,1-3H3/b12-7+
InChIKeyZQSFXSJEYJMHIE-KPKJPENVSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-6-(oxan-2-yloxy)hept-2-en-1-ol?
The IUPAC name of (E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol (CID 11402244) is (E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol.
What is the SMILES notation for (E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol?
The canonical SMILES for (E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol is C/C(=C\CCC(C)(C)OC1CCCCO1)CO.
What is the InChIKey of (E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol?
The InChIKey is ZQSFXSJEYJMHIE-KPKJPENVSA-N. The full InChI is InChI=1S/C14H26O3/c1-12(11-15)7-6-9-14(2,3)17-13-8-4-5-10-16-13/h7,13,15H,4-6,8-11H2,1-3H3/b12-7+.
What are the key properties of (E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol?
(E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol has a molecular weight of 242.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dimethyl-6-(oxan-2-yloxy)hept-2-en-1-ol is sourced from PubChem (CID 11402244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).