bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane

C38H68 — CID 159374922

IUPACbis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane
SMILESC1=Cc2ccccc2CC1.C1=Cc2ccccc2CC1.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/2C10H10.2C5H12.4C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4;4*1-2/h2*1-3,5-7H,4,8H2;2*1-4H3;4*1-2H3
InChIKeyLKEQZWYTQUHUTG-UHFFFAOYSA-N
MW524.96 g/mol
LogP13.50
Rot. Bonds

About bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane

bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane (PubChem CID 159374922) has the molecular formula C38H68 and a molecular weight of 524.96 g/mol. Its IUPAC name is bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane.

Molecular Properties

Compound Namebis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane
PubChem CID159374922
Molecular FormulaC38H68
Molecular Weight524.96 g/mol
Exact Mass524.53
IUPAC Namebis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane
SMILESC1=Cc2ccccc2CC1.C1=Cc2ccccc2CC1.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C
InChIInChI=1S/2C10H10.2C5H12.4C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4;4*1-2/h2*1-3,5-7H,4,8H2;2*1-4H3;4*1-2H3
InChIKeyLKEQZWYTQUHUTG-UHFFFAOYSA-N
XLogP13.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.96
LogP ≤ 513.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dihydronaphthalene
CID 161389674
1,2-dihydronaphthalene
CID 9938
1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten
CID 158118772
1,2-dihydronaphthalene;phosphoryl trichloride
CID 91096847
2,2-dimethylpropane;1H-indene
CID 91444603
7,8,9,10-tetrahydrobenzo[8]annulene
CID 54518791
(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene
CID 134982097
bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
CID 158590082
2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
CID 157086025
1,2-dihydronaphthalene;1,3-thiazole
CID 68836302
7-tert-butyl-1,2-dihydronaphthalene
CID 58093565
benzene;1,1'-biphenyl;2,9-dihydro-1H-fluorene;1,2-dihydronaphthalene
CID 157412815

Frequently Asked Questions

What is the IUPAC name of bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane?
The IUPAC name of bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane (CID 159374922) is bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane.
What is the SMILES notation for bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane?
The canonical SMILES for bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane is C1=Cc2ccccc2CC1.C1=Cc2ccccc2CC1.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.
What is the InChIKey of bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane?
The InChIKey is LKEQZWYTQUHUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10.2C5H12.4C2H6/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-5(2,3)4;4*1-2/h2*1-3,5-7H,4,8H2;2*1-4H3;4*1-2H3.
What are the key properties of bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane?
bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane has a molecular weight of 524.96 g/mol, XLogP of 13.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane is sourced from PubChem (CID 159374922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).