(2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

C22H32O — CID 52937176

IUPAC(2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
SMILESCC1=C(/C=C/C(=C/C=C\C(C)=C\C=O)C(C)C)C(C)(C)CCC1
InChIInChI=1S/C22H32O/c1-17(2)20(11-7-9-18(3)14-16-23)12-13-21-19(4)10-8-15-22(21,5)6/h7,9,11-14,16-17H,8,10,15H2,1-6H3/b9-7-,13-12+,18-14+,20-11-
InChIKeyZGYWSXPTARMAPH-ZIZXGTBISA-N
MW312.50 g/mol
LogP6.35
Rot. Bonds6

About (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal

(2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal (PubChem CID 52937176) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal.

Molecular Properties

Compound Name(2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
PubChem CID52937176
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name(2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
SMILESCC1=C(/C=C/C(=C/C=C\C(C)=C\C=O)C(C)C)C(C)(C)CCC1
InChIInChI=1S/C22H32O/c1-17(2)20(11-7-9-18(3)14-16-23)12-13-21-19(4)10-8-15-22(21,5)6/h7,9,11-14,16-17H,8,10,15H2,1-6H3/b9-7-,13-12+,18-14+,20-11-
InChIKeyZGYWSXPTARMAPH-ZIZXGTBISA-N
XLogP6.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal with MolForge

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Launch Full Analysis

Related Compounds

beta-apo-8'-CAROTENAL
CID 5478003
Retinal
CID 638015
9-Cis-Retinal
CID 6436082
13-cis-Retinal
CID 6436079
11-Cis-Retinal
CID 5280490
3,7,11,15-tetramethyl-2E-hexadecenal
CID 14035234
2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
CID 102375
Dehydroretinal
CID 5280866
beta-apo-10'-Carotenal
CID 6450190
4'-Apo-beta-carotenal
CID 44224033
beta-Apo-14'-carotenal
CID 5280992
Retinal dimer
CID 11049924

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal?
The IUPAC name of (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal (CID 52937176) is (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal.
What is the SMILES notation for (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal?
The canonical SMILES for (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal is CC1=C(/C=C/C(=C/C=C\C(C)=C\C=O)C(C)C)C(C)(C)CCC1.
What is the InChIKey of (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal?
The InChIKey is ZGYWSXPTARMAPH-ZIZXGTBISA-N. The full InChI is InChI=1S/C22H32O/c1-17(2)20(11-7-9-18(3)14-16-23)12-13-21-19(4)10-8-15-22(21,5)6/h7,9,11-14,16-17H,8,10,15H2,1-6H3/b9-7-,13-12+,18-14+,20-11-.
What are the key properties of (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal?
(2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal has a molecular weight of 312.50 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E,8E)-3-methyl-7-propan-2-yl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal is sourced from PubChem (CID 52937176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).