(2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal

C15H26O — CID 146278116

IUPAC(2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal
SMILESCC(C)C1CC=C(C[C@@H](C)C=O)C(C)C1C
InChIInChI=1S/C15H26O/c1-10(2)15-7-6-14(8-11(3)9-16)12(4)13(15)5/h6,9-13,15H,7-8H2,1-5H3/t11-,12?,13?,15?/m1/s1
InChIKeyMIVVKNWKDIDQHX-PEGDAGBESA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds4

About (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal

(2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal (PubChem CID 146278116) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name(2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal
PubChem CID146278116
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal
SMILESCC(C)C1CC=C(C[C@@H](C)C=O)C(C)C1C
InChIInChI=1S/C15H26O/c1-10(2)15-7-6-14(8-11(3)9-16)12(4)13(15)5/h6,9-13,15H,7-8H2,1-5H3/t11-,12?,13?,15?/m1/s1
InChIKeyMIVVKNWKDIDQHX-PEGDAGBESA-N
XLogP4.09
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 ≤ 54.09
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'}

Analyze (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(4R)-5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl]methoxy]-4-oxobutanoic acid
CID 142196871
2,6-dimethyl-5-propan-2-ylcyclohex-2-en-1-one
CID 73047399
3-methyl-6-propan-2-ylcyclohex-3-ene-1-carbaldehyde
CID 101489357
2-methyl-3-[(4R)-4-propylcyclopenten-1-yl]propanal
CID 166790842
2-methyl-3-(4-propylcyclohexen-1-yl)propanal
CID 150601403
(2S)-3-cyclohexa-1,5-dien-1-yl-2-methylpropanal
CID 144910636
4-methyl-1-(2-methylpropyl)cyclobutene
CID 123924362
3-[(4R,6R)-6-methyl-4-propan-2-ylcyclohexen-1-yl]propanal
CID 146421371
3-(4-chloro-1-methylpyrazol-5-yl)-2-methylpropanal
CID 83828956
(4R,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4R,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5R)-1,5-dimethyl-4-propan-2-ylcyclohexene;(4S,5S)-1,5-dimethyl-4-propan-2-ylcyclohexene;methane
CID 159750866
ethane;2-methyl-3-(4-methylphenyl)propanal
CID 142479337
2-methyl-3-(1-methylpyrazol-4-yl)propanal
CID 64666214

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal?
The IUPAC name of (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal (CID 146278116) is (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal.
What is the SMILES notation for (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal?
The canonical SMILES for (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal is CC(C)C1CC=C(C[C@@H](C)C=O)C(C)C1C.
What is the InChIKey of (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal?
The InChIKey is MIVVKNWKDIDQHX-PEGDAGBESA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)15-7-6-14(8-11(3)9-16)12(4)13(15)5/h6,9-13,15H,7-8H2,1-5H3/t11-,12?,13?,15?/m1/s1.
What are the key properties of (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal?
(2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal has a molecular weight of 222.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(5,6-dimethyl-4-propan-2-ylcyclohexen-1-yl)-2-methylpropanal is sourced from PubChem (CID 146278116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).