CID 134902983

C33H59NdSi3- — CID 134902983

IUPAC—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[CH][CH][C]([C@H]3C[C@H](C)CC[C@H]3C(C)C)[CH]2)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Nd]
InChIInChI=1S/C26H40Si.C7H19Si2.Nd/c1-16(2)24-13-10-17(3)14-25(24)22-11-12-23(15-22)27(8,9)26-20(6)18(4)19(5)21(26)7;1-8(2,3)7-9(4,5)6;/h11-12,15-17,24-25H,10,13-14H2,1-9H3;7H,1-6H3;/q;-1;/t17-,24+,25-;;/m1../s1
InChIKeyJAJODRXDICEXPZ-ZNNKJPQYSA-N
MW684.33 g/mol
LogP10.17
Rot. Bonds6

About CID 134902983

CID 134902983 (PubChem CID 134902983) has the molecular formula C33H59NdSi3- and a molecular weight of 684.33 g/mol.

Molecular Properties

Compound NameCID 134902983
PubChem CID134902983
Molecular FormulaC33H59NdSi3-
Molecular Weight684.33 g/mol
Exact Mass681.30
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[CH][CH][C]([C@H]3C[C@H](C)CC[C@H]3C(C)C)[CH]2)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Nd]
InChIInChI=1S/C26H40Si.C7H19Si2.Nd/c1-16(2)24-13-10-17(3)14-25(24)22-11-12-23(15-22)27(8,9)26-20(6)18(4)19(5)21(26)7;1-8(2,3)7-9(4,5)6;/h11-12,15-17,24-25H,10,13-14H2,1-9H3;7H,1-6H3;/q;-1;/t17-,24+,25-;;/m1../s1
InChIKeyJAJODRXDICEXPZ-ZNNKJPQYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.33
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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dilithium;dimethyl-[3-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-2,4-dien-1-yl]silane;hydride
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CID 101104006
4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane
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CID 72788762
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CID 134992473
CID 134992473
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
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Frequently Asked Questions

What is the IUPAC name of CID 134902983?
The IUPAC name of CID 134902983 (CID 134902983) is not available.
What is the SMILES notation for CID 134902983?
The canonical SMILES for CID 134902983 is C[C]1[C](C)[C](C)[C]([Si](C)(C)[C]2[CH][CH][C]([C@H]3C[C@H](C)CC[C@H]3C(C)C)[CH]2)[C]1C.C[Si](C)(C)[CH-][Si](C)(C)C.[Nd].
What is the InChIKey of CID 134902983?
The InChIKey is JAJODRXDICEXPZ-ZNNKJPQYSA-N. The full InChI is InChI=1S/C26H40Si.C7H19Si2.Nd/c1-16(2)24-13-10-17(3)14-25(24)22-11-12-23(15-22)27(8,9)26-20(6)18(4)19(5)21(26)7;1-8(2,3)7-9(4,5)6;/h11-12,15-17,24-25H,10,13-14H2,1-9H3;7H,1-6H3;/q;-1;/t17-,24+,25-;;/m1../s1.
What are the key properties of CID 134902983?
CID 134902983 has a molecular weight of 684.33 g/mol, XLogP of 10.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902983 is sourced from PubChem (CID 134902983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).