6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde

C19H26O — CID 24859695

IUPAC6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=C(/C=C/C2=CC=C(C=O)C(C)C2)C(C)(C)CCC1
InChIInChI=1S/C19H26O/c1-14-6-5-11-19(3,4)18(14)10-8-16-7-9-17(13-20)15(2)12-16/h7-10,13,15H,5-6,11-12H2,1-4H3/b10-8+
InChIKeyYHMSDFLGZRQCMM-CSKARUKUSA-N
MW270.42 g/mol
LogP5.16
Rot. Bonds3

About 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde

6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859695) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859695
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=C(/C=C/C2=CC=C(C=O)C(C)C2)C(C)(C)CCC1
InChIInChI=1S/C19H26O/c1-14-6-5-11-19(3,4)18(14)10-8-16-7-9-17(13-20)15(2)12-16/h7-10,13,15H,5-6,11-12H2,1-4H3/b10-8+
InChIKeyYHMSDFLGZRQCMM-CSKARUKUSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6,6-tri((113C)methyl)(1,2,3,4,5,6-13C6)cyclohexene-1-carbaldehyde
CID 11228964
2-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]benzaldehyde
CID 59086530
(2E,4E,6E,8E)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 15517576
(4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 148810051
ethane;4-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-yl]benzaldehyde
CID 142889389
(2Z)-2-[(5R)-5-(2,6,6-trimethylcyclohexen-1-yl)-3-[(Z)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohex-2-en-1-ylidene]acetic acid
CID 98554233
(1E,3R)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
CID 86310428
(2Z,4E)-3-chloro-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 10776362
4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
CID 77238031
(E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoic acid
CID 5383969
2-[4-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene]acetaldehyde
CID 54233936
N,N-dimethyl-2-(2,6,6-trimethylcyclohexen-1-yl)ethenamine
CID 57117640

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde (CID 24859695) is 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde is CC1=C(/C=C/C2=CC=C(C=O)C(C)C2)C(C)(C)CCC1.
What is the InChIKey of 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is YHMSDFLGZRQCMM-CSKARUKUSA-N. The full InChI is InChI=1S/C19H26O/c1-14-6-5-11-19(3,4)18(14)10-8-16-7-9-17(13-20)15(2)12-16/h7-10,13,15H,5-6,11-12H2,1-4H3/b10-8+.
What are the key properties of 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde?
6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 270.42 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).