2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane

C29H46 — CID 157086025

IUPAC2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
SMILESC.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C9H8.2C5H12.CH4/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-5(2,3)4;/h1-2,4-5H,3,6-7H2;1-6H,7H2;2*1-4H3;1H4
InChIKeyAECCTNZTFYEVQQ-UHFFFAOYSA-N
MW394.69 g/mol
LogP9.17
Rot. Bonds

About 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane

2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane (PubChem CID 157086025) has the molecular formula C29H46 and a molecular weight of 394.69 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane.

Molecular Properties

Compound Name2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
PubChem CID157086025
Molecular FormulaC29H46
Molecular Weight394.69 g/mol
Exact Mass394.36
IUPAC Name2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane
SMILESC.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2
InChIInChI=1S/C9H10.C9H8.2C5H12.CH4/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-5(2,3)4;/h1-2,4-5H,3,6-7H2;1-6H,7H2;2*1-4H3;1H4
InChIKeyAECCTNZTFYEVQQ-UHFFFAOYSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,3-dihydro-1H-indene);hexakis(2,2-dimethylpropane);tetrakis(1H-indene)
CID 158590082
2,2-dimethylpropane;1H-indene
CID 91444603
2,3-dihydro-1H-indene;1H-indene;naphthalene
CID 161039487
1H-indene;methane
CID 157370172
1H-indene;methane
CID 22114429
benzene;1H-indene;naphthalene;1,2,3,4-tetrahydronaphthalene
CID 160913528
copper;1H-indene
CID 175216856
2,3-dihydro-1H-indene;2,2-dimethylpropane
CID 91306466
benzene;bis(2,3-dihydro-1H-indene);1H-indene;3H-indole
CID 160566551
hydrogen peroxide;1H-indene;hydrobromide
CID 158452751
CID 67393892
CID 67393892
ethoxyethane;1H-indene
CID 86747629

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane?
The IUPAC name of 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane (CID 157086025) is 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane.
What is the SMILES notation for 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane?
The canonical SMILES for 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane is C.C1=Cc2ccccc2C1.CC(C)(C)C.CC(C)(C)C.c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane?
The InChIKey is AECCTNZTFYEVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C9H8.2C5H12.CH4/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-5(2,3)4;/h1-2,4-5H,3,6-7H2;1-6H,7H2;2*1-4H3;1H4.
What are the key properties of 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane?
2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane has a molecular weight of 394.69 g/mol, XLogP of 9.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene;bis(2,2-dimethylpropane);1H-indene;methane is sourced from PubChem (CID 157086025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).