methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate

C16H32GeO2 — CID 102215517

IUPACmethyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate
SMILESCCCCCCCC/C=C(\C[Ge](C)(C)C)C(=O)OC
InChIInChI=1S/C16H32GeO2/c1-6-7-8-9-10-11-12-13-15(16(18)19-5)14-17(2,3)4/h13H,6-12,14H2,1-5H3/b15-13+
InChIKeyKPUHXEWKGZSKKX-FYWRMAATSA-N
MW329.04 g/mol
LogP5.17
Rot. Bonds10

About methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate

methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate (PubChem CID 102215517) has the molecular formula C16H32GeO2 and a molecular weight of 329.04 g/mol. Its IUPAC name is methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate
PubChem CID102215517
Molecular FormulaC16H32GeO2
Molecular Weight329.04 g/mol
Exact Mass330.16
IUPAC Namemethyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate
SMILESCCCCCCCC/C=C(\C[Ge](C)(C)C)C(=O)OC
InChIInChI=1S/C16H32GeO2/c1-6-7-8-9-10-11-12-13-15(16(18)19-5)14-17(2,3)4/h13H,6-12,14H2,1-5H3/b15-13+
InChIKeyKPUHXEWKGZSKKX-FYWRMAATSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.04
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl farnesoate
CID 5275508
Methyl dec-2-enoate
CID 81834
Methyl 2-decenoate
CID 5368064
2-Dodecenoic acid, methyl ester, (2E)-
CID 637723
2-Hexadecenoic acid, methyl ester, (E)-
CID 5362679
Npc102503
CID 5370350
Methyl 2-undecenoate
CID 6429220
Dodecenoyl anhydride
CID 6437933
Ethyl 2-methyl-2-nonenoate
CID 5466549
Methyl (Z,E)-farnesoate
CID 12527597
methyl (2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoate
CID 13940476
Hexadecenoic acid methyl ester
CID 76066

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate?
The IUPAC name of methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate (CID 102215517) is methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate.
What is the SMILES notation for methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate?
The canonical SMILES for methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate is CCCCCCCC/C=C(\C[Ge](C)(C)C)C(=O)OC.
What is the InChIKey of methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate?
The InChIKey is KPUHXEWKGZSKKX-FYWRMAATSA-N. The full InChI is InChI=1S/C16H32GeO2/c1-6-7-8-9-10-11-12-13-15(16(18)19-5)14-17(2,3)4/h13H,6-12,14H2,1-5H3/b15-13+.
What are the key properties of methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate?
methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate has a molecular weight of 329.04 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(trimethylgermylmethyl)undec-2-enoate is sourced from PubChem (CID 102215517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).