(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal

C15H24O — CID 10998575

IUPAC(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal
SMILESCC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/C=O
InChIInChI=1S/C15H24O/c1-12(9-11-16)8-10-15(4)13(2)6-5-7-14(15)3/h6,9,11,14H,5,7-8,10H2,1-4H3/b12-9+/t14-,15-/m1/s1
InChIKeyMFQXCBWICUSMIL-PRYPJVTBSA-N
MW220.36 g/mol
LogP4.29
Rot. Bonds4

About (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal

(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal (PubChem CID 10998575) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal.

Molecular Properties

Compound Name(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal
PubChem CID10998575
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal
SMILESCC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/C=O
InChIInChI=1S/C15H24O/c1-12(9-11-16)8-10-15(4)13(2)6-5-7-14(15)3/h6,9,11,14H,5,7-8,10H2,1-4H3/b12-9+/t14-,15-/m1/s1
InChIKeyMFQXCBWICUSMIL-PRYPJVTBSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.29
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal 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

3-[4,8-dimethyl-10-(1,2,6-trimethylcyclohex-2-en-1-yl)deca-3,7-dienyl]-2H-furan-5-one
CID 85146845
4-methoxy-6-[2-methyl-4-[(1R,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]but-1-enyl]pyran-2-one
CID 162866089
3-methyl-N-(2-oxopiperidin-3-yl)-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enamide
CID 75049088
(Z)-5-[(1S,2R,4aR,8aR)-2-(hydroxymethyl)-1,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-enal
CID 162980217
2,4-dimethoxy-6-[3-methyl-5-(1,2,6-trimethylcyclohex-2-en-1-yl)pent-2-enyl]phenol
CID 74051197
N-[3,7-dimethyl-9-(1,2,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dienyl]-N-[4-(methylamino)-6-(propan-2-ylamino)pyrimidin-5-yl]formamide
CID 78141539
(2E,6E)-9-[(1S,2R)-1,2-dimethyl-4,6-dioxocyclohexyl]-3,7-dimethylnona-2,6-dienal
CID 11392548
[2-[3-(furan-3-yl)propyl]-6-methyl-8-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]oct-5-enyl] hydrogen sulfate
CID 163036421
7-[3,7-dimethyl-9-[(1R,6S)-1,2,6-trimethylcyclohex-2-en-1-yl]nona-2,6-dienyl]-9-methyl-1,2,3,4,5,6,8,9-octahydropurin-9-ium-6-amine
CID 162961314
1-(1,2,6-trimethylcyclohex-2-en-1-yl)ethanone
CID 70536981
(E)-5-[(1R,2S,4aS,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpent-2-en-1-ol
CID 102357097
5-[(1S)-2,2-dimethylcyclopropyl]-3-methylpent-2-enal
CID 91491670

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal?
The IUPAC name of (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal (CID 10998575) is (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal.
What is the SMILES notation for (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal?
The canonical SMILES for (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal is CC1=CCC[C@@H](C)[C@]1(C)CC/C(C)=C/C=O.
What is the InChIKey of (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal?
The InChIKey is MFQXCBWICUSMIL-PRYPJVTBSA-N. The full InChI is InChI=1S/C15H24O/c1-12(9-11-16)8-10-15(4)13(2)6-5-7-14(15)3/h6,9,11,14H,5,7-8,10H2,1-4H3/b12-9+/t14-,15-/m1/s1.
What are the key properties of (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal?
(E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal has a molecular weight of 220.36 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-5-[(1S,6R)-1,2,6-trimethylcyclohex-2-en-1-yl]pent-2-enal is sourced from PubChem (CID 10998575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).