3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

C29H40Br2O2Si — CID 58193775

IUPAC3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)[Si](Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2)(C(C)C)C(C)C
InChIInChI=1S/C29H40Br2O2Si/c1-17(2)34(18(3)4,19(5)6)33-29-25(31)16-21-12-8-10-14-23(21)27(29)26-22-13-9-7-11-20(22)15-24(30)28(26)32/h15-19,32H,7-14H2,1-6H3
InChIKeyUWZSRXVZCXDTIW-UHFFFAOYSA-N
MW608.53 g/mol
LogP9.90
Rot. Bonds6

About 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 58193775) has the molecular formula C29H40Br2O2Si and a molecular weight of 608.53 g/mol. Its IUPAC name is 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID58193775
Molecular FormulaC29H40Br2O2Si
Molecular Weight608.53 g/mol
Exact Mass606.12
IUPAC Name3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCC(C)[Si](Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2)(C(C)C)C(C)C
InChIInChI=1S/C29H40Br2O2Si/c1-17(2)34(18(3)4,19(5)6)33-29-25(31)16-21-12-8-10-14-23(21)27(29)26-22-13-9-7-11-20(22)15-24(30)28(26)32/h15-19,32H,7-14H2,1-6H3
InChIKeyUWZSRXVZCXDTIW-UHFFFAOYSA-N
XLogP9.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.53
LogP ≤ 59.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol (CID 58193775) is 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is CC(C)[Si](Oc1c(Br)cc2c(c1-c1c(O)c(Br)cc3c1CCCC3)CCCC2)(C(C)C)C(C)C.
What is the InChIKey of 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is UWZSRXVZCXDTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40Br2O2Si/c1-17(2)34(18(3)4,19(5)6)33-29-25(31)16-21-12-8-10-14-23(21)27(29)26-22-13-9-7-11-20(22)15-24(30)28(26)32/h15-19,32H,7-14H2,1-6H3.
What are the key properties of 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol?
3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 608.53 g/mol, XLogP of 9.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[3-bromo-2-tri(propan-2-yl)silyloxy-5,6,7,8-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 58193775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).