germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid

C20H42GeO2 — CID 174380036

IUPACgermane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
SMILESC/C(=C\C(=O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[GeH4]
InChIInChI=1S/C20H38O2.GeH4/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22;/h15-18H,6-14H2,1-5H3,(H,21,22);1H4/b19-15+;/t17-,18-;/m1./s1
InChIKeyLTWZAJRADMLGKM-YCNCEQBRSA-N
MW387.16 g/mol
LogP5.00
Rot. Bonds13

About germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid

germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid (PubChem CID 174380036) has the molecular formula C20H42GeO2 and a molecular weight of 387.16 g/mol. Its IUPAC name is germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid.

Molecular Properties

Compound Namegermane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
PubChem CID174380036
Molecular FormulaC20H42GeO2
Molecular Weight387.16 g/mol
Exact Mass388.24
IUPAC Namegermane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
SMILESC/C(=C\C(=O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[GeH4]
InChIInChI=1S/C20H38O2.GeH4/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22;/h15-18H,6-14H2,1-5H3,(H,21,22);1H4/b19-15+;/t17-,18-;/m1./s1
InChIKeyLTWZAJRADMLGKM-YCNCEQBRSA-N
XLogP5.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.16
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

indigane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid
CID 174327196
CID 170924185
CID 170924185
lithium;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;bromide
CID 174970117
sodium;hydride;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid;zinc;hydrofluoride
CID 174346153
3,12-dimethyltridec-2-enoic acid
CID 54254777
(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
CID 175222711
(E)-3,6-dimethylhept-2-enoic acid
CID 21291054
(14E,19E)-2,6,10,14,20,24,28,32-octamethyltritriaconta-14,19-dien-17-one
CID 6272650
N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 54096321
4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
CID 57023975
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235

Frequently Asked Questions

What is the IUPAC name of germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid?
The IUPAC name of germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid (CID 174380036) is germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid.
What is the SMILES notation for germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid?
The canonical SMILES for germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid is C/C(=C\C(=O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[GeH4].
What is the InChIKey of germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid?
The InChIKey is LTWZAJRADMLGKM-YCNCEQBRSA-N. The full InChI is InChI=1S/C20H38O2.GeH4/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22;/h15-18H,6-14H2,1-5H3,(H,21,22);1H4/b19-15+;/t17-,18-;/m1./s1.
What are the key properties of germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid?
germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid has a molecular weight of 387.16 g/mol, XLogP of 5.00, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for germane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid is sourced from PubChem (CID 174380036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).