germane;pentyl 2-pentylheptanoate

C17H38GeO2 — CID 173457558

IUPACgermane;pentyl 2-pentylheptanoate
SMILESCCCCCOC(=O)C(CCCCC)CCCCC.[GeH4]
InChIInChI=1S/C17H34O2.GeH4/c1-4-7-10-13-16(14-11-8-5-2)17(18)19-15-12-9-6-3;/h16H,4-15H2,1-3H3;1H4
InChIKeyLBJKTIMKOSLVSF-UHFFFAOYSA-N
MW347.10 g/mol
LogP4.05
Rot. Bonds13

About germane;pentyl 2-pentylheptanoate

germane;pentyl 2-pentylheptanoate (PubChem CID 173457558) has the molecular formula C17H38GeO2 and a molecular weight of 347.10 g/mol. Its IUPAC name is germane;pentyl 2-pentylheptanoate.

Molecular Properties

Compound Namegermane;pentyl 2-pentylheptanoate
PubChem CID173457558
Molecular FormulaC17H38GeO2
Molecular Weight347.10 g/mol
Exact Mass348.21
IUPAC Namegermane;pentyl 2-pentylheptanoate
SMILESCCCCCOC(=O)C(CCCCC)CCCCC.[GeH4]
InChIInChI=1S/C17H34O2.GeH4/c1-4-7-10-13-16(14-11-8-5-2)17(18)19-15-12-9-6-3;/h16H,4-15H2,1-3H3;1H4
InChIKeyLBJKTIMKOSLVSF-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.10
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tridecyl 2-hexadecylicosanoate
CID 159510432
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
hexadecyl 2-hexylicosanoate
CID 87088758
decyl 2-hexyltetradecanoate
CID 57466026
octyl 2-butyldocosanoate
CID 174740469
tetradecyl 2-butylhexanoate
CID 91318887
butyl 2-butyldocosanoate
CID 175080024
16-methylheptadecyl (2S)-2-hexyldecanoate
CID 99121761
6-aminohexyl 2-hexyloctanoate
CID 176644793

Frequently Asked Questions

What is the IUPAC name of germane;pentyl 2-pentylheptanoate?
The IUPAC name of germane;pentyl 2-pentylheptanoate (CID 173457558) is germane;pentyl 2-pentylheptanoate.
What is the SMILES notation for germane;pentyl 2-pentylheptanoate?
The canonical SMILES for germane;pentyl 2-pentylheptanoate is CCCCCOC(=O)C(CCCCC)CCCCC.[GeH4].
What is the InChIKey of germane;pentyl 2-pentylheptanoate?
The InChIKey is LBJKTIMKOSLVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2.GeH4/c1-4-7-10-13-16(14-11-8-5-2)17(18)19-15-12-9-6-3;/h16H,4-15H2,1-3H3;1H4.
What are the key properties of germane;pentyl 2-pentylheptanoate?
germane;pentyl 2-pentylheptanoate has a molecular weight of 347.10 g/mol, XLogP of 4.05, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for germane;pentyl 2-pentylheptanoate is sourced from PubChem (CID 173457558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).