(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol

C14H24O3 — CID 11042854

IUPAC(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
SMILESC/C(=C\COC1CCCCO1)CC/C=C/CO
InChIInChI=1S/C14H24O3/c1-13(7-3-2-5-10-15)9-12-17-14-8-4-6-11-16-14/h2,5,9,14-15H,3-4,6-8,10-12H2,1H3/b5-2+,13-9+
InChIKeyDVPHZPFKAOOBSU-YAJGUJQZSA-N
MW240.34 g/mol
LogP2.80
Rot. Bonds7

About (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol

(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol (PubChem CID 11042854) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
PubChem CID11042854
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
SMILESC/C(=C\COC1CCCCO1)CC/C=C/CO
InChIInChI=1S/C14H24O3/c1-13(7-3-2-5-10-15)9-12-17-14-8-4-6-11-16-14/h2,5,9,14-15H,3-4,6-8,10-12H2,1H3/b5-2+,13-9+
InChIKeyDVPHZPFKAOOBSU-YAJGUJQZSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E)-3,7-dimethylocta-2,6-dienoxy]tetrahydropyran
CID 10889987
all-trans-Farnesol Tetrahydropyranyl Ether
CID 10638386
2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy]tetrahydropyran
CID 10861694
2,6-Dimethyl-8-(tetrahydropyran-2-yloxy)-octa-2,6-dien-1-ol
CID 5367918
(4E,8E,12E,16Z,20Z,24Z,28Z,32Z,36Z,40Z)-4,8,12,16,20,24,28,32,36,40-decamethyl-42-(oxan-2-yloxy)dotetraconta-4,8,12,16,20,24,28,32,36,40-decaen-1-ol
CID 168274851
(Z)-4-(Tetrahydro-2H-pyran-2-yl-oxy)but-2-en-1-ol
CID 10975949
2-(6-Hydroxy-trans-4-hexenyloxy)tetrahydropyran
CID 13411670
(2Z,6E,10E)-2-fluoro-3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-2,6,10-trien-1-ol
CID 12135471
(2E,6E,10E)-2-fluoro-3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-2,6,10-trien-1-ol
CID 12135472
(E)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 10397543
(2Z)-4-(Oxan-2-yloxy)but-2-EN-1-OL
CID 12927815
cis-4-Tetrahydropyranyloxy 2-cyclopentenol
CID 13623252

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol (CID 11042854) is (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol is C/C(=C\COC1CCCCO1)CC/C=C/CO.
What is the InChIKey of (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
The InChIKey is DVPHZPFKAOOBSU-YAJGUJQZSA-N. The full InChI is InChI=1S/C14H24O3/c1-13(7-3-2-5-10-15)9-12-17-14-8-4-6-11-16-14/h2,5,9,14-15H,3-4,6-8,10-12H2,1H3/b5-2+,13-9+.
What are the key properties of (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol?
(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol has a molecular weight of 240.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol is sourced from PubChem (CID 11042854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).