2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane

C20H34O3 — CID 135050594

IUPAC2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
SMILESCO[C@@H]1CC[C@@H](C)C(C)=C1CC/C=C\CCOC1CCCCO1
InChIInChI=1S/C20H34O3/c1-16-12-13-19(21-3)18(17(16)2)10-6-4-5-8-14-22-20-11-7-9-15-23-20/h4-5,16,19-20H,6-15H2,1-3H3/b5-4-/t16-,19-,20?/m1/s1
InChIKeyRECJSVWPFUEBCR-PUXYIHPUSA-N
MW322.49 g/mol
LogP5.02
Rot. Bonds8

About 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane

2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane (PubChem CID 135050594) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
PubChem CID135050594
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
SMILESCO[C@@H]1CC[C@@H](C)C(C)=C1CC/C=C\CCOC1CCCCO1
InChIInChI=1S/C20H34O3/c1-16-12-13-19(21-3)18(17(16)2)10-6-4-5-8-14-22-20-11-7-9-15-23-20/h4-5,16,19-20H,6-15H2,1-3H3/b5-4-/t16-,19-,20?/m1/s1
InChIKeyRECJSVWPFUEBCR-PUXYIHPUSA-N
XLogP5.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 55.02
H-Bond Donors ≤ 50
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 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane with MolForge

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Launch Full Analysis

Related Compounds

2-[(2E,6E)-9-[(1R)-2,2-dimethyl-6-methylene-cyclohexyl]-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116540
2-[(2E,6E)-9-cyclohexyl-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116735
2-[(2E,6E)-9-[(1S)-2,2-dimethyl-6-methylene-cyclohexyl]-3,7-dimethyl-nona-2,6-dienoxy]tetrahydropyran
CID 12116739
(2R,3S,4R,6R)-2-ethenyl-3-ethyl-4-(methoxymethoxy)-6-[(E,2S,3R,4S)-3-methoxy-4-methyloct-6-en-2-yl]oxane
CID 46855104
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane
CID 134849756
2-[(Z)-6-[(3R)-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane
CID 134906322
(3R,6R)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 134993637
(3R,4R)-4-(oxan-2-yloxy)-3-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]cyclopenten-1-olate
CID 135046135
(1R,3R)-8-methyl-4-(6-methyl-3-methylidenehept-6-en-4-ynyl)-3-propan-2-yloxy-2-oxabicyclo[2.2.2]oct-5-ene
CID 164673862
(1S,3R,4R,8S)-8-methyl-4-(6-methyl-3-methylidenehept-6-en-4-ynyl)-3-propan-2-yloxy-2-oxabicyclo[2.2.2]oct-5-ene
CID 164680463
(1S,3R)-8-methyl-4-(6-methyl-3-methylidenehept-6-en-4-ynyl)-3-propan-2-yloxy-2-oxabicyclo[2.2.2]oct-5-ene
CID 164681095

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane?
The IUPAC name of 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane (CID 135050594) is 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane?
The canonical SMILES for 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane is CO[C@@H]1CC[C@@H](C)C(C)=C1CC/C=C\CCOC1CCCCO1.
What is the InChIKey of 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane?
The InChIKey is RECJSVWPFUEBCR-PUXYIHPUSA-N. The full InChI is InChI=1S/C20H34O3/c1-16-12-13-19(21-3)18(17(16)2)10-6-4-5-8-14-22-20-11-7-9-15-23-20/h4-5,16,19-20H,6-15H2,1-3H3/b5-4-/t16-,19-,20?/m1/s1.
What are the key properties of 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane?
2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane has a molecular weight of 322.49 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-6-[(3R,6R)-6-methoxy-2,3-dimethylcyclohexen-1-yl]hex-3-enoxy]oxane is sourced from PubChem (CID 135050594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).