2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane

C23H38O2 — CID 46238914

IUPAC2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCC1CCC(C)(C)C(OC)O1
InChIInChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-23(2,3)22(24-4)25-21/h6-7,9-10,12-13,15-16,21-22H,5,8,11,14,17-20H2,1-4H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyCBXYPDNNZSRGMR-DOFZRALJSA-N
MW346.56 g/mol
LogP6.75
Rot. Bonds11

About 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane

2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane (PubChem CID 46238914) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane.

Molecular Properties

Compound Name2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane
PubChem CID46238914
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Name2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCC1CCC(C)(C)C(OC)O1
InChIInChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-23(2,3)22(24-4)25-21/h6-7,9-10,12-13,15-16,21-22H,5,8,11,14,17-20H2,1-4H3/b7-6-,10-9-,13-12-,16-15-
InChIKeyCBXYPDNNZSRGMR-DOFZRALJSA-N
XLogP6.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane with MolForge

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Related Compounds

2-nona-3,6-dienoxy-5-pentyloxolane
CID 86006444
2-hex-3-enylcyclopropan-1-ol
CID 123588538
pentadeca-3,6,9,12-tetraene
CID 123748490
(2S,3S,5R)-2-butyl-5-hex-3-enyloxolan-3-ol
CID 123456053
(3Z,6Z)-1-bromonona-3,6-diene
CID 14077874
2,5-bis(hex-3-enyl)-2,3-dihydrofuran
CID 139662910
2-[(4Z,10Z,13Z,16Z)-nonadeca-4,10,13,16-tetraenyl]-1,3-dioxolane
CID 46243153
henicosa-6,9,12,15,18-pentaen-2-ylcyclopropane
CID 123601956
methanol;[2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-1,3-dioxolan-4-yl]methanol
CID 145138269
(1R,2R,5S)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
CID 161257720
(1R,2R,5S,6R)-6-ethylbicyclo[3.1.0]hexan-2-ol;(2R)-2-[(Z)-hex-3-enyl]oxirane
CID 161257721
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
CID 25007348

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane?
The IUPAC name of 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane (CID 46238914) is 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane.
What is the SMILES notation for 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane?
The canonical SMILES for 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane is CC/C=C\C/C=C\C/C=C\C/C=C\CCC1CCC(C)(C)C(OC)O1.
What is the InChIKey of 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane?
The InChIKey is CBXYPDNNZSRGMR-DOFZRALJSA-N. The full InChI is InChI=1S/C23H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-23(2,3)22(24-4)25-21/h6-7,9-10,12-13,15-16,21-22H,5,8,11,14,17-20H2,1-4H3/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane?
2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane has a molecular weight of 346.56 g/mol, XLogP of 6.75, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethyl-6-[(3Z,6Z,9Z,12Z)-pentadeca-3,6,9,12-tetraenyl]oxane is sourced from PubChem (CID 46238914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).