2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene

C85H160O3 — CID 158647803

IUPAC2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2
InChIInChI=1S/C10H12.2C9H10O.C9H10.C8H8O.5C4H10.10C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;5*1-4(2)3;10*1-2/h1-2,5-6H,3-4,7-8H2;2*1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;5*4H,1-3H3;10*1-2H3
InChIKeyIBEJPOWYGPQAPE-UHFFFAOYSA-N
MW1230.21 g/mol
LogP28.96
Rot. Bonds

About 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene

2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene (PubChem CID 158647803) has the molecular formula C85H160O3 and a molecular weight of 1230.21 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
PubChem CID158647803
Molecular FormulaC85H160O3
Molecular Weight1230.21 g/mol
Exact Mass1229.24
IUPAC Name2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2
InChIInChI=1S/C10H12.2C9H10O.C9H10.C8H8O.5C4H10.10C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;5*1-4(2)3;10*1-2/h1-2,5-6H,3-4,7-8H2;2*1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;5*4H,1-3H3;10*1-2H3
InChIKeyIBEJPOWYGPQAPE-UHFFFAOYSA-N
XLogP28.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001230.21
LogP ≤ 528.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;bis(2-methylpropane)
CID 157163368
3,4-dihydro-2H-chromene;ethane
CID 91076984
3,4-dihydro-2H-chromene;bis(2,2-dimethylpropane);ethane;1,2,3,4-tetrahydronaphthalene
CID 158908593
CID 163793293
CID 163793293
2,3-dihydro-1-benzofuran;ethane
CID 54441538
deuterium monohydride;2,3-dihydro-1-benzofuran;2,3-dihydro-1H-indene;ethane;ethene;methane
CID 162269581
2-oxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene
CID 153343499
3,4-dihydro-2H-chromene;N,N-dimethylmethanamine
CID 174740760
1,3-benzodioxole;2,3-dihydro-1-benzofuran;bis(2-methylpropane)
CID 158598846
3,4-dihydro-2H-chromene;hydron;iron;lanthanum
CID 175145681
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099
3,4-dihydro-2H-chromene;naphthalene
CID 144745299

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene (CID 158647803) is 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene?
The InChIKey is IBEJPOWYGPQAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.2C9H10O.C9H10.C8H8O.5C4H10.10C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;5*1-4(2)3;10*1-2/h1-2,5-6H,3-4,7-8H2;2*1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;5*4H,1-3H3;10*1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene?
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene has a molecular weight of 1230.21 g/mol, XLogP of 28.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158647803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).