(Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal

C14H28OSi — CID 10988413

IUPAC(Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal
SMILESC/C(=C/C[Si](C)(C)C)C[C@@H](C)C[C@@H](C)C=O
InChIInChI=1S/C14H28OSi/c1-12(7-8-16(4,5)6)9-13(2)10-14(3)11-15/h7,11,13-14H,8-10H2,1-6H3/b12-7-/t13-,14-/m1/s1
InChIKeyRMMVOGWQQPKUPV-PISUUVGWSA-N
MW240.46 g/mol
LogP4.52
Rot. Bonds7

About (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal

(Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal (PubChem CID 10988413) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal.

Molecular Properties

Compound Name(Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal
PubChem CID10988413
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name(Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal
SMILESC/C(=C/C[Si](C)(C)C)C[C@@H](C)C[C@@H](C)C=O
InChIInChI=1S/C14H28OSi/c1-12(7-8-16(4,5)6)9-13(2)10-14(3)11-15/h7,11,13-14H,8-10H2,1-6H3/b12-7-/t13-,14-/m1/s1
InChIKeyRMMVOGWQQPKUPV-PISUUVGWSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
CID 93199
1-p-Menthen-9-al
CID 520440
2,6,10-Trimethyl-9-undecenal
CID 98403
3-Cyclohexene-1-propanal, beta,4-dimethyl-
CID 110923
3-Cyclohexene-1-carboxaldehyde, 3-(4-methyl-3-penten-1-yl)-
CID 103649
p-Menth-3-en-7-al
CID 15601950
7-Nonenal, 6,8-dimethyl-
CID 57591433
3-[(4R)-4-(propan-2-yl)cyclohex-1-en-1-yl]propanal
CID 86680876
7-Nonenal, 4,8-dimethyl-
CID 100845
alpha,4-Dimethyl-1-cyclohexene-1-acetaldehyde
CID 88425666
(2S)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanal
CID 76958477
74043-11-1
CID 12563470

Frequently Asked Questions

What is the IUPAC name of (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal?
The IUPAC name of (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal (CID 10988413) is (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal.
What is the SMILES notation for (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal?
The canonical SMILES for (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal is C/C(=C/C[Si](C)(C)C)C[C@@H](C)C[C@@H](C)C=O.
What is the InChIKey of (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal?
The InChIKey is RMMVOGWQQPKUPV-PISUUVGWSA-N. The full InChI is InChI=1S/C14H28OSi/c1-12(7-8-16(4,5)6)9-13(2)10-14(3)11-15/h7,11,13-14H,8-10H2,1-6H3/b12-7-/t13-,14-/m1/s1.
What are the key properties of (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal?
(Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal has a molecular weight of 240.46 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,4S)-2,4,6-trimethyl-8-trimethylsilyloct-6-enal is sourced from PubChem (CID 10988413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).