CID 87507146

C120H212O13Si2 — CID 87507146

IUPAC—

SMILESCCCCCC(C)(C)Oc1ccc([Si](O[Si](c2ccc(OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c2OC(C)(C)CCCCC)c2ccc(OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c2OC(C)(C)CCCCC)c2ccc(OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c2OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c1OC(C)(C)CCCCC

InChIInChI=1S/C120H212O13Si2/c1-37-49-61-81-109(13,14)121-93-73-77-97(105(129-117(29,30)89-69-57-45-9)101(93)125-113(21,22)85-65-53-41-5)134(98-78-74-94(122-110(15,16)82-62-50-38-2)102(126-114(23,24)86-66-54-42-6)106(98)130-118(31,32)90-70-58-46-10)133-135(99-79-75-95(123-111(17,18)83-63-51-39-3)103(127-115(25,26)87-67-55-43-7)107(99)131-119(33,34)91-71-59-47-11)100-80-76-96(124-112(19,20)84-64-52-40-4)104(128-116(27,28)88-68-56-44-8)108(100)132-120(35,36)92-72-60-48-12/h73-80H,37-72,81-92H2,1-36H3

InChIKeyBODJAXUWZZSOAZ-UHFFFAOYSA-N

MW1919.17 g/mol

LogP35.47

Rot. Bonds78

About CID 87507146

CID 87507146 (PubChem CID 87507146) has the molecular formula C120H212O13Si2 and a molecular weight of 1919.17 g/mol.

Molecular Properties

Compound Name	CID 87507146
PubChem CID	87507146
Molecular Formula	C120H212O13Si2
Molecular Weight	1919.17 g/mol
Exact Mass	1917.55
IUPAC Name	—
SMILES	CCCCCC(C)(C)Oc1ccc([Si](O[Si](c2ccc(OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c2OC(C)(C)CCCCC)c2ccc(OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c2OC(C)(C)CCCCC)c2ccc(OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c2OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c1OC(C)(C)CCCCC
InChI	InChI=1S/C120H212O13Si2/c1-37-49-61-81-109(13,14)121-93-73-77-97(105(129-117(29,30)89-69-57-45-9)101(93)125-113(21,22)85-65-53-41-5)134(98-78-74-94(122-110(15,16)82-62-50-38-2)102(126-114(23,24)86-66-54-42-6)106(98)130-118(31,32)90-70-58-46-10)133-135(99-79-75-95(123-111(17,18)83-63-51-39-3)103(127-115(25,26)87-67-55-43-7)107(99)131-119(33,34)91-71-59-47-11)100-80-76-96(124-112(19,20)84-64-52-40-4)104(128-116(27,28)88-68-56-44-8)108(100)132-120(35,36)92-72-60-48-12/h73-80H,37-72,81-92H2,1-36H3
InChIKey	BODJAXUWZZSOAZ-UHFFFAOYSA-N
XLogP	35.47
TPSA	119.99 Å²
H-Bond Donors
H-Bond Acceptors	13
Rotatable Bonds	78
Heavy Atoms	135
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.17
LogP ≤ 5	35.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 87507146?

The IUPAC name of CID 87507146 (CID 87507146) is not available.

What is the SMILES notation for CID 87507146?

The canonical SMILES for CID 87507146 is CCCCCC(C)(C)Oc1ccc([Si](O[Si](c2ccc(OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c2OC(C)(C)CCCCC)c2ccc(OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c2OC(C)(C)CCCCC)c2ccc(OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c2OC(C)(C)CCCCC)c(OC(C)(C)CCCCC)c1OC(C)(C)CCCCC.

What is the InChIKey of CID 87507146?

The InChIKey is BODJAXUWZZSOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H212O13Si2/c1-37-49-61-81-109(13,14)121-93-73-77-97(105(129-117(29,30)89-69-57-45-9)101(93)125-113(21,22)85-65-53-41-5)134(98-78-74-94(122-110(15,16)82-62-50-38-2)102(126-114(23,24)86-66-54-42-6)106(98)130-118(31,32)90-70-58-46-10)133-135(99-79-75-95(123-111(17,18)83-63-51-39-3)103(127-115(25,26)87-67-55-43-7)107(99)131-119(33,34)91-71-59-47-11)100-80-76-96(124-112(19,20)84-64-52-40-4)104(128-116(27,28)88-68-56-44-8)108(100)132-120(35,36)92-72-60-48-12/h73-80H,37-72,81-92H2,1-36H3.

What are the key properties of CID 87507146?

CID 87507146 has a molecular weight of 1919.17 g/mol, XLogP of 35.47, 78 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for CID 87507146 is sourced from PubChem (CID 87507146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).