(4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene

C17H28O2 — CID 11414413

IUPAC(4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC)[C@H]1C(C)(C)/C=C/OC
InChIInChI=1S/C17H28O2/c1-12(2)14-9-8-13(3)16(19-7)15(14)17(4,5)10-11-18-6/h8,10-11,14-16H,1,9H2,2-7H3/b11-10+/t14-,15-,16-/m0/s1
InChIKeyJFRVVDPPWVZNIU-OCARLFBBSA-N
MW264.41 g/mol
LogP4.35
Rot. Bonds5

About (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene

(4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 11414413) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name(4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene
PubChem CID11414413
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC)[C@H]1C(C)(C)/C=C/OC
InChIInChI=1S/C17H28O2/c1-12(2)14-9-8-13(3)16(19-7)15(14)17(4,5)10-11-18-6/h8,10-11,14-16H,1,9H2,2-7H3/b11-10+/t14-,15-,16-/m0/s1
InChIKeyJFRVVDPPWVZNIU-OCARLFBBSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene (CID 11414413) is (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene is C=C(C)[C@@H]1CC=C(C)[C@H](OC)[C@H]1C(C)(C)/C=C/OC.
What is the InChIKey of (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is JFRVVDPPWVZNIU-OCARLFBBSA-N. The full InChI is InChI=1S/C17H28O2/c1-12(2)14-9-8-13(3)16(19-7)15(14)17(4,5)10-11-18-6/h8,10-11,14-16H,1,9H2,2-7H3/b11-10+/t14-,15-,16-/m0/s1.
What are the key properties of (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene?
(4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene has a molecular weight of 264.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-6-methoxy-5-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-1-methyl-4-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 11414413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).