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

C15H28O2 — CID 138978000

IUPAC(E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol
SMILESCC(/C=C/C1CCCCO1)CCCC(C)(C)O
InChIInChI=1S/C15H28O2/c1-13(7-6-11-15(2,3)16)9-10-14-8-4-5-12-17-14/h9-10,13-14,16H,4-8,11-12H2,1-3H3/b10-9+
InChIKeyULJQRLMWRKPAHL-MDZDMXLPSA-N
MW240.39 g/mol
LogP3.69
Rot. Bonds6

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

(E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol (PubChem CID 138978000) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol.

Molecular Properties

Compound Name(E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol
PubChem CID138978000
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol
SMILESCC(/C=C/C1CCCCO1)CCCC(C)(C)O
InChIInChI=1S/C15H28O2/c1-13(7-6-11-15(2,3)16)9-10-14-8-4-5-12-17-14/h9-10,13-14,16H,4-8,11-12H2,1-3H3/b10-9+
InChIKeyULJQRLMWRKPAHL-MDZDMXLPSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
2-but-1-enyloxane
CID 54120972
methyl (Z)-4-(oxan-2-yl)but-3-enoate
CID 117267638
2-[(E)-prop-1-enyl]oxolane
CID 12508233
2-methyl-6-(oxiran-2-ylmethoxy)hexan-2-ol;zirconium
CID 87744459
2-buta-1,3-dienyloxane
CID 150390930
4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
CID 126844589
[(Z)-4-methylhept-5-enyl]cyclopentane
CID 143369090
1-amino-2-(oxan-2-yl)propan-2-ol
CID 139026645
4-[6-[(E)-6-iodo-3-methylhept-1-enyl]oxan-3-yl]cyclohexan-1-ol
CID 143210235
(E,3S)-9-[(2R)-oxan-2-yl]non-8-en-4,6-diyn-3-ol
CID 163034272
(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
CID 25147334

Frequently Asked Questions

What is the IUPAC name of (E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol?
The IUPAC name of (E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol (CID 138978000) is (E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol.
What is the SMILES notation for (E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol?
The canonical SMILES for (E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol is CC(/C=C/C1CCCCO1)CCCC(C)(C)O.
What is the InChIKey of (E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol?
The InChIKey is ULJQRLMWRKPAHL-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H28O2/c1-13(7-6-11-15(2,3)16)9-10-14-8-4-5-12-17-14/h9-10,13-14,16H,4-8,11-12H2,1-3H3/b10-9+.
What are the key properties of (E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol?
(E)-2,6-dimethyl-8-(oxan-2-yl)oct-7-en-2-ol has a molecular weight of 240.39 g/mol, XLogP of 3.69, 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-(oxan-2-yl)oct-7-en-2-ol is sourced from PubChem (CID 138978000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).