CID 19609427

C30H41F2OSi — CID 19609427

IUPAC—
SMILESCCCCC[Si]1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)CC1
InChIInChI=1S/C30H41F2OSi/c1-3-5-6-19-34-20-17-25(18-21-34)24-9-7-22(8-10-24)23-11-13-26(14-12-23)27-15-16-28(33-4-2)30(32)29(27)31/h11-16,22,24-25H,3-10,17-21H2,1-2H3
InChIKeyLQQIGXYPJFBUCB-UHFFFAOYSA-N
MW483.74 g/mol
LogP9.40
Rot. Bonds9

About CID 19609427

CID 19609427 (PubChem CID 19609427) has the molecular formula C30H41F2OSi and a molecular weight of 483.74 g/mol.

Molecular Properties

Compound NameCID 19609427
PubChem CID19609427
Molecular FormulaC30H41F2OSi
Molecular Weight483.74 g/mol
Exact Mass483.29
IUPAC Name—
SMILESCCCCC[Si]1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)CC1
InChIInChI=1S/C30H41F2OSi/c1-3-5-6-19-34-20-17-25(18-21-34)24-9-7-22(8-10-24)23-11-13-26(14-12-23)27-15-16-28(33-4-2)30(32)29(27)31/h11-16,22,24-25H,3-10,17-21H2,1-2H3
InChIKeyLQQIGXYPJFBUCB-UHFFFAOYSA-N
XLogP9.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 67612605
CID 67612605
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CID 144647908
1-ethoxy-2,3-difluoro-4-[4-[4-(3-propylcyclopentyl)cyclohexyl]phenyl]benzene
CID 58555645
(2R,4aR,8aR)-2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809263
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
1-ethoxy-2,3-difluoro-4-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]benzene
CID 118965777
2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 145449238
2,3-difluoro-1-pentoxy-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 134358507
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
2,3-difluoro-1-[4-(4-hexylcyclohexyl)phenyl]-4-octoxybenzene
CID 134358528
2,3-difluoro-1-octoxy-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 14495692
1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene;1-ethoxy-2,3-difluoro-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]benzene;1-ethoxy-2,3-difluoro-4-[(4-propylcyclohexyl)methoxy]benzene;1-methoxy-4-(4-propylcyclohexyl)benzene
CID 162050662

Frequently Asked Questions

What is the IUPAC name of CID 19609427?
The IUPAC name of CID 19609427 (CID 19609427) is not available.
What is the SMILES notation for CID 19609427?
The canonical SMILES for CID 19609427 is CCCCC[Si]1CCC(C2CCC(c3ccc(-c4ccc(OCC)c(F)c4F)cc3)CC2)CC1.
What is the InChIKey of CID 19609427?
The InChIKey is LQQIGXYPJFBUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F2OSi/c1-3-5-6-19-34-20-17-25(18-21-34)24-9-7-22(8-10-24)23-11-13-26(14-12-23)27-15-16-28(33-4-2)30(32)29(27)31/h11-16,22,24-25H,3-10,17-21H2,1-2H3.
What are the key properties of CID 19609427?
CID 19609427 has a molecular weight of 483.74 g/mol, XLogP of 9.40, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19609427 is sourced from PubChem (CID 19609427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).