(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol

C25H48OSi — CID 10739293

IUPAC(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
SMILESCCCCC/C=C1\CCCC\C1=C(\C(O)CCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C25H48OSi/c1-6-8-10-12-13-15-21-24(26)25(27(3,4)5)23-20-17-16-19-22(23)18-14-11-9-7-2/h18,24,26H,6-17,19-21H2,1-5H3/b22-18+,25-23+
InChIKeyCZDPANOHHLRFPM-CNDXUAGCSA-N
MW392.74 g/mol
LogP8.35
Rot. Bonds13

About (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol

(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol (PubChem CID 10739293) has the molecular formula C25H48OSi and a molecular weight of 392.74 g/mol. Its IUPAC name is (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol.

Molecular Properties

Compound Name(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
PubChem CID10739293
Molecular FormulaC25H48OSi
Molecular Weight392.74 g/mol
Exact Mass392.35
IUPAC Name(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
SMILESCCCCC/C=C1\CCCC\C1=C(\C(O)CCCCCCCC)[Si](C)(C)C
InChIInChI=1S/C25H48OSi/c1-6-8-10-12-13-15-21-24(26)25(27(3,4)5)23-20-17-16-19-22(23)18-14-11-9-7-2/h18,24,26H,6-17,19-21H2,1-5H3/b22-18+,25-23+
InChIKeyCZDPANOHHLRFPM-CNDXUAGCSA-N
XLogP8.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.74
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935867
(S,Z)-2-(5-((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethanol
CID 11119109
(4Z,6Z)-4-hexyl-6-[iodo(trimethylsilyl)methylidene]dodeca-1,4-dien-3-ol
CID 11167454
(E)-3-trimethylsilyldodec-2-ene-1,4-diol
CID 13382778
5-[Tert-butyl(dimethyl)silyl]oxy-1-(cyclohepten-1-yl)pentan-1-ol
CID 24795825
2-(3-Trimethylsilylpropylidene)cyclohexan-1-ol
CID 86091765
1-(Cyclohexen-1-yl)-3-trimethylsilylpropan-1-ol
CID 101386357
tert-butyl-[(1R,4E)-3-[5-[tert-butyl(dimethyl)silyl]oxypent-1-en-2-yl]-4-(trimethylsilylmethylidene)cyclohex-2-en-1-yl]oxy-dimethylsilane
CID 101414674
(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-ol
CID 101808796
1-(3-Methylidenecyclohexen-1-yl)propan-1-ol
CID 102214093
(Z)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylnon-2-en-1-ol
CID 134846881

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol?
The IUPAC name of (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol (CID 10739293) is (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol.
What is the SMILES notation for (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol?
The canonical SMILES for (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol is CCCCC/C=C1\CCCC\C1=C(\C(O)CCCCCCCC)[Si](C)(C)C.
What is the InChIKey of (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol?
The InChIKey is CZDPANOHHLRFPM-CNDXUAGCSA-N. The full InChI is InChI=1S/C25H48OSi/c1-6-8-10-12-13-15-21-24(26)25(27(3,4)5)23-20-17-16-19-22(23)18-14-11-9-7-2/h18,24,26H,6-17,19-21H2,1-5H3/b22-18+,25-23+.
What are the key properties of (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol?
(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol has a molecular weight of 392.74 g/mol, XLogP of 8.35, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol is sourced from PubChem (CID 10739293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).