(Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal

C16H32GeO2 — CID 11023961

IUPAC(Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal
SMILESCCCC[Ge](/C=C(\C=O)CO)(CCCC)CCCC
InChIInChI=1S/C16H32GeO2/c1-4-7-10-17(11-8-5-2,12-9-6-3)13-16(14-18)15-19/h13-14,19H,4-12,15H2,1-3H3/b16-13+
InChIKeyZFDREJOKUSYXTJ-DTQAZKPQSA-N
MW329.04 g/mol
LogP4.49
Rot. Bonds12

About (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal

(Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal (PubChem CID 11023961) has the molecular formula C16H32GeO2 and a molecular weight of 329.04 g/mol. Its IUPAC name is (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal.

Molecular Properties

Compound Name(Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal
PubChem CID11023961
Molecular FormulaC16H32GeO2
Molecular Weight329.04 g/mol
Exact Mass330.16
IUPAC Name(Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal
SMILESCCCC[Ge](/C=C(\C=O)CO)(CCCC)CCCC
InChIInChI=1S/C16H32GeO2/c1-4-7-10-17(11-8-5-2,12-9-6-3)13-16(14-18)15-19/h13-14,19H,4-12,15H2,1-3H3/b16-13+
InChIKeyZFDREJOKUSYXTJ-DTQAZKPQSA-N
XLogP4.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.04
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)but-2-enal
CID 54024247
butan-1-ol;2-oxopropanal
CID 159639130
(Z)-2-decyl-3-deuteriotetradec-2-enal
CID 102241352
butane;ethanol;hexane
CID 174644566
methanediol;nonane
CID 159588378
2-pentylideneoctanal
CID 57053473
2-octadecyldocos-2-enal
CID 54072385
2-hexylidenenonanal
CID 54074680
3-butyl-2-iodohept-2-enal
CID 134996116
2-formyldec-2-enoic acid
CID 175590598
butane;butan-1-ol
CID 19774960
ethane-1,2-diol;pentanal
CID 87390280

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal?
The IUPAC name of (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal (CID 11023961) is (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal.
What is the SMILES notation for (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal?
The canonical SMILES for (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal is CCCC[Ge](/C=C(\C=O)CO)(CCCC)CCCC.
What is the InChIKey of (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal?
The InChIKey is ZFDREJOKUSYXTJ-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H32GeO2/c1-4-7-10-17(11-8-5-2,12-9-6-3)13-16(14-18)15-19/h13-14,19H,4-12,15H2,1-3H3/b16-13+.
What are the key properties of (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal?
(Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal has a molecular weight of 329.04 g/mol, XLogP of 4.49, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(hydroxymethyl)-3-tributylgermylprop-2-enal is sourced from PubChem (CID 11023961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).