CID 170924185

C20H38K2O2 — CID 170924185

IUPAC—
SMILESCC(=CC(=O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[K].[K]
InChIInChI=1S/C20H38O2.2K/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);;/t17-,18-;;/m1../s1
InChIKeyCYAFCOHNLFRWBJ-RKDOVGOJSA-N
MW388.72 g/mol
LogP5.69
Rot. Bonds13

About CID 170924185

CID 170924185 (PubChem CID 170924185) has the molecular formula C20H38K2O2 and a molecular weight of 388.72 g/mol.

Molecular Properties

Compound NameCID 170924185
PubChem CID170924185
Molecular FormulaC20H38K2O2
Molecular Weight388.72 g/mol
Exact Mass388.21
IUPAC Name—
SMILESCC(=CC(=O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[K].[K]
InChIInChI=1S/C20H38O2.2K/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);;/t17-,18-;;/m1../s1
InChIKeyCYAFCOHNLFRWBJ-RKDOVGOJSA-N
XLogP5.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.72
LogP ≤ 55.69
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

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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
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(E)-3,7,11,15-tetramethylhexadec-2-enoyl bromide
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(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
4-hydroxy-7,11,15,19-tetramethylicosa-2,6-dien-5-one
CID 57023975
N,N-bis(2-hydroxyethyl)-3,7,11,15-tetramethylhexadec-2-enamide
CID 54096321
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
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(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190

Frequently Asked Questions

What is the IUPAC name of CID 170924185?
The IUPAC name of CID 170924185 (CID 170924185) is not available.
What is the SMILES notation for CID 170924185?
The canonical SMILES for CID 170924185 is CC(=CC(=O)O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[K].[K].
What is the InChIKey of CID 170924185?
The InChIKey is CYAFCOHNLFRWBJ-RKDOVGOJSA-N. The full InChI is InChI=1S/C20H38O2.2K/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);;/t17-,18-;;/m1../s1.
What are the key properties of CID 170924185?
CID 170924185 has a molecular weight of 388.72 g/mol, XLogP of 5.69, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170924185 is sourced from PubChem (CID 170924185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).