(1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane

C24H42O2 — CID 10970493

IUPAC(1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O/C=C/C=C/O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C24H42O2/c1-17(2)21-11-9-19(5)15-23(21)25-13-7-8-14-26-24-16-20(6)10-12-22(24)18(3)4/h7-8,13-14,17-24H,9-12,15-16H2,1-6H3/b13-7+,14-8+/t19-,20-,21+,22+,23-,24-/m1/s1
InChIKeyGNUODHWJXCRTBN-OEOQQXQDSA-N
MW362.60 g/mol
LogP6.97
Rot. Bonds7

About (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane

(1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane (PubChem CID 10970493) has the molecular formula C24H42O2 and a molecular weight of 362.60 g/mol. Its IUPAC name is (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane
PubChem CID10970493
Molecular FormulaC24H42O2
Molecular Weight362.60 g/mol
Exact Mass362.32
IUPAC Name(1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O/C=C/C=C/O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C24H42O2/c1-17(2)21-11-9-19(5)15-23(21)25-13-7-8-14-26-24-16-20(6)10-12-22(24)18(3)4/h7-8,13-14,17-24H,9-12,15-16H2,1-6H3/b13-7+,14-8+/t19-,20-,21+,22+,23-,24-/m1/s1
InChIKeyGNUODHWJXCRTBN-OEOQQXQDSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane with MolForge

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Launch Full Analysis

Related Compounds

1-(3-Fluoropropyl)-4-[4-(prop-1-enoxymethyl)cyclohexyl]cyclohexane
CID 70116755
1-(1-cyclohexyl-3-fluoropropyl)-4-[[(E)-prop-1-enoxy]methyl]cyclohexane
CID 140391630
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-[(E)-prop-1-enoxy]cyclohexane
CID 11206383
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-[(Z)-prop-1-enoxy]cyclohexane
CID 13808323
(1S,2R,4R)-2-[(Z)-but-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 13808327
(1S,2R,4R)-2-[(E)-but-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 13808328
(1S,2R,4R)-2-[(1Z)-hexa-1,5-dienoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 15449907
(1S,2R,4R)-2-but-1-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 134857961
(1S,2R,4R)-2-[(1E,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 134900768
(1S,2R,4R)-2-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 134900860
1-but-3-enyl-4-[4-[(E)-hex-1-enoxy]cyclohexyl]cyclohexane
CID 19834847
1-[(E)-but-1-enoxy]-4-(4-but-3-enylcyclohexyl)cyclohexane
CID 19834852

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane?
The IUPAC name of (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane (CID 10970493) is (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane.
What is the SMILES notation for (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane?
The canonical SMILES for (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O/C=C/C=C/O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane?
The InChIKey is GNUODHWJXCRTBN-OEOQQXQDSA-N. The full InChI is InChI=1S/C24H42O2/c1-17(2)21-11-9-19(5)15-23(21)25-13-7-8-14-26-24-16-20(6)10-12-22(24)18(3)4/h7-8,13-14,17-24H,9-12,15-16H2,1-6H3/b13-7+,14-8+/t19-,20-,21+,22+,23-,24-/m1/s1.
What are the key properties of (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane?
(1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane has a molecular weight of 362.60 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane is sourced from PubChem (CID 10970493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).