(4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal

C15H26O — CID 11229797

IUPAC(4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal
SMILESCC(C=O)C/C=C1\C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O/c1-11(2)15-8-6-12(3)9-14(15)7-5-13(4)10-16/h7,10-13,15H,5-6,8-9H2,1-4H3/b14-7+/t12-,13?,15+/m1/s1
InChIKeyCLWODHOZSBGAAV-CKTVBVOYSA-N
MW222.37 g/mol
LogP4.23
Rot. Bonds4

About (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal

(4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal (PubChem CID 11229797) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal.

Molecular Properties

Compound Name(4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal
PubChem CID11229797
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal
SMILESCC(C=O)C/C=C1\C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O/c1-11(2)15-8-6-12(3)9-14(15)7-5-13(4)10-16/h7,10-13,15H,5-6,8-9H2,1-4H3/b14-7+/t12-,13?,15+/m1/s1
InChIKeyCLWODHOZSBGAAV-CKTVBVOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(2E)-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]ethyl]oxolan-2-one
CID 25001337
trans-(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
CID 26447
trans-(1S,2E,4R)-2-[(2R)-2-cyclohexylpropylidene]-4-methyl-1-propan-2-ylcyclohexane
CID 15357315
cis-(1R,4R)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 11105555
cis-(1S,4S)-4-methyl-2-methylidene-1-propan-2-ylcyclohexane
CID 154825120
N-[(2R,5R)-5-methyl-2-propan-2-ylcyclohexylidene]hydroxylamine
CID 130756041
1-methoxy-4-[(1E,2S)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]propan-2-yl]benzene
CID 10613233
trans-(Z,2S,5R)-5-methyl-2-propan-2-yl-N-prop-2-enoxycyclohexan-1-imine
CID 46945726
dimethyl-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]-3-phenylmethoxypropan-2-yl]-phenylsilane
CID 134903403
3-(4-methylcyclohexyl)butanal
CID 21290463
1-methoxy-3-[(1E,2R)-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]propan-2-yl]benzene
CID 10803162
[(1E,2R)-3,3-dimethyl-1-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butan-2-yl]-dimethyl-phenylsilane
CID 134903317

Frequently Asked Questions

What is the IUPAC name of (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal?
The IUPAC name of (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal (CID 11229797) is (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal.
What is the SMILES notation for (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal?
The canonical SMILES for (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal is CC(C=O)C/C=C1\C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal?
The InChIKey is CLWODHOZSBGAAV-CKTVBVOYSA-N. The full InChI is InChI=1S/C15H26O/c1-11(2)15-8-6-12(3)9-14(15)7-5-13(4)10-16/h7,10-13,15H,5-6,8-9H2,1-4H3/b14-7+/t12-,13?,15+/m1/s1.
What are the key properties of (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal?
(4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal has a molecular weight of 222.37 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-methyl-4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]butanal is sourced from PubChem (CID 11229797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).