(2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol

C17H30O3 — CID 6440588

IUPAC(2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol
SMILESCCCCC/C=C/C(C/C=C\CO)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-11-16(12-7-9-14-18)20-17-13-8-10-15-19-17/h6-7,9,11,16-18H,2-5,8,10,12-15H2,1H3/b9-7-,11-6+
InChIKeyRTSVXZIATMTWDK-IBDCXDMFSA-N
MW282.42 g/mol
LogP3.97
Rot. Bonds10

About (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol

(2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol (PubChem CID 6440588) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol.

Molecular Properties

Compound Name(2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol
PubChem CID6440588
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Name(2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol
SMILESCCCCC/C=C/C(C/C=C\CO)OC1CCCCO1
InChIInChI=1S/C17H30O3/c1-2-3-4-5-6-11-16(12-7-9-14-18)20-17-13-8-10-15-19-17/h6-7,9,11,16-18H,2-5,8,10,12-15H2,1H3/b9-7-,11-6+
InChIKeyRTSVXZIATMTWDK-IBDCXDMFSA-N
XLogP3.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol with MolForge

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Related Compounds

2,6-Dimethyl-8-(tetrahydropyran-2-yloxy)-octa-2,6-dien-1-ol
CID 5367918
2-(6-Hydroxy-trans-4-hexenyloxy)tetrahydropyran
CID 13411670
cis-4-Tetrahydropyranyloxy 2-cyclopentenol
CID 13623252
(e)-4-Hydroxy-2-nonenal-diethylacetal
CID 14298925
4-Hydroxynonenal-diethylacetal
CID 57319218
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
(2E,4S)-4-[(Tetrahydro-2H-pyran-2-yl)oxy]-2-penten-1-ol
CID 12842695
(2E,7E)-3,7-dimethyl-9-(oxan-2-yloxy)nona-2,7-dien-1-ol
CID 10400854
(2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 11042854
(E)-2-[1-(oxan-2-yloxy)cyclopropyl]oct-2-en-4-ol
CID 13524725
1,10-Dioxaspiro[4.5]dec-3-en-2-ol
CID 130129233
(E)-3-[1-(oxan-2-yloxy)cyclopropyl]prop-2-en-1-ol
CID 134877458

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol?
The IUPAC name of (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol (CID 6440588) is (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol.
What is the SMILES notation for (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol?
The canonical SMILES for (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol is CCCCC/C=C/C(C/C=C\CO)OC1CCCCO1.
What is the InChIKey of (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol?
The InChIKey is RTSVXZIATMTWDK-IBDCXDMFSA-N. The full InChI is InChI=1S/C17H30O3/c1-2-3-4-5-6-11-16(12-7-9-14-18)20-17-13-8-10-15-19-17/h6-7,9,11,16-18H,2-5,8,10,12-15H2,1H3/b9-7-,11-6+.
What are the key properties of (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol?
(2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol has a molecular weight of 282.42 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-5-(oxan-2-yloxy)dodeca-2,6-dien-1-ol is sourced from PubChem (CID 6440588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).