diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

C32H59I5O3 — CID 165053923

IUPACdiiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CC[C@@H](C)C[C@H]1O.CC(C)=CCC[C@@H](C)CC=O.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.IC(I)I.ICI
InChIInChI=1S/C10H20O.2C10H18O.CHI3.CH2I2/c2*1-7(2)9-5-4-8(3)6-10(9)11;1-9(2)5-4-6-10(3)7-8-11;2-1(3)4;2-1-3/h7-11H,4-6H2,1-3H3;8-11H,1,4-6H2,2-3H3;5,8,10H,4,6-7H2,1-3H3;1H;1H2/t8-,9+,10-;8-,9?,10-;10-;;/m111../s1
InChIKeyQCENZBRZIOKFCI-BKSTVLEZSA-N
MW1126.34 g/mol
LogP12.15
Rot. Bonds7

About diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 165053923) has the molecular formula C32H59I5O3 and a molecular weight of 1126.34 g/mol. Its IUPAC name is diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namediiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID165053923
Molecular FormulaC32H59I5O3
Molecular Weight1126.34 g/mol
Exact Mass1125.97
IUPAC Namediiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CC[C@@H](C)C[C@H]1O.CC(C)=CCC[C@@H](C)CC=O.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.IC(I)I.ICI
InChIInChI=1S/C10H20O.2C10H18O.CHI3.CH2I2/c2*1-7(2)9-5-4-8(3)6-10(9)11;1-9(2)5-4-6-10(3)7-8-11;2-1(3)4;2-1-3/h7-11H,4-6H2,1-3H3;8-11H,1,4-6H2,2-3H3;5,8,10H,4,6-7H2,1-3H3;1H;1H2/t8-,9+,10-;8-,9?,10-;10-;;/m111../s1
InChIKeyQCENZBRZIOKFCI-BKSTVLEZSA-N
XLogP12.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.34
LogP ≤ 512.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S,5R)-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexan-1-ol
CID 57387115
(2E)-3,7-dimethylocta-2,6-dienal;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 87439428
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
3,7-dimethylocta-1,6-dien-3-yl acetate;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22134021
3-methylbutanoic acid;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 53471029
2-[(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]acetaldehyde
CID 173016577
3,7-dimethyloct-6-enyl tris(5-methyl-2-propan-2-ylcyclohexyl) silicate
CID 70184537
3,7-dimethyloct-6-enal;3,7-dimethyloct-6-enenitrile
CID 174893210

Frequently Asked Questions

What is the IUPAC name of diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol (CID 165053923) is diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1CC[C@@H](C)C[C@H]1O.CC(C)=CCC[C@@H](C)CC=O.CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.IC(I)I.ICI.
What is the InChIKey of diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is QCENZBRZIOKFCI-BKSTVLEZSA-N. The full InChI is InChI=1S/C10H20O.2C10H18O.CHI3.CH2I2/c2*1-7(2)9-5-4-8(3)6-10(9)11;1-9(2)5-4-6-10(3)7-8-11;2-1(3)4;2-1-3/h7-11H,4-6H2,1-3H3;8-11H,1,4-6H2,2-3H3;5,8,10H,4,6-7H2,1-3H3;1H;1H2/t8-,9+,10-;8-,9?,10-;10-;;/m111../s1.
What are the key properties of diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol?
diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 1126.34 g/mol, XLogP of 12.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diiodomethane;(3R)-3,7-dimethyloct-6-enal;iodoform;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165053923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).