benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane

C120H218 — CID 162206246

IUPACbenzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane
SMILESC.C1=CCC=C1.C1=CCC=C1.C1CCCC1.C1CCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.c1ccc(Cc2ccccc2)cc1.c1ccc2c(c1)CCC2.c1ccc2ccccc2c1
InChIInChI=1S/C13H12.C10H8.C9H10.3C8H10.2C5H10.2C5H6.7C3H8.11C2H6.CH4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;3*1-2-8-6-4-3-5-7-8;4*1-2-4-5-3-1;7*1-3-2;11*1-2;/h1-10H,11H2;1-8H;1-2,4-5H,3,6-7H2;3*3-7H,2H2,1H3;2*1-5H2;2*1-4H,5H2;7*3H2,1-2H3;11*1-2H3;1H4
InChIKeyZSFOHWPGTIOBKU-UHFFFAOYSA-N
MW1661.06 g/mol
LogP43.78
Rot. Bonds5

About benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane

benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane (PubChem CID 162206246) has the molecular formula C120H218 and a molecular weight of 1661.06 g/mol. Its IUPAC name is benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane.

Molecular Properties

Compound Namebenzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane
PubChem CID162206246
Molecular FormulaC120H218
Molecular Weight1661.06 g/mol
Exact Mass1659.71
IUPAC Namebenzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane
SMILESC.C1=CCC=C1.C1=CCC=C1.C1CCCC1.C1CCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.c1ccc(Cc2ccccc2)cc1.c1ccc2c(c1)CCC2.c1ccc2ccccc2c1
InChIInChI=1S/C13H12.C10H8.C9H10.3C8H10.2C5H10.2C5H6.7C3H8.11C2H6.CH4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;3*1-2-8-6-4-3-5-7-8;4*1-2-4-5-3-1;7*1-3-2;11*1-2;/h1-10H,11H2;1-8H;1-2,4-5H,3,6-7H2;3*3-7H,2H2,1H3;2*1-5H2;2*1-4H,5H2;7*3H2,1-2H3;11*1-2H3;1H4
InChIKeyZSFOHWPGTIOBKU-UHFFFAOYSA-N
XLogP43.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001661.06
LogP ≤ 543.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane?
The IUPAC name of benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane (CID 162206246) is benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane.
What is the SMILES notation for benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane?
The canonical SMILES for benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane is C.C1=CCC=C1.C1=CCC=C1.C1CCCC1.C1CCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.c1ccc(Cc2ccccc2)cc1.c1ccc2c(c1)CCC2.c1ccc2ccccc2c1.
What is the InChIKey of benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane?
The InChIKey is ZSFOHWPGTIOBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C10H8.C9H10.3C8H10.2C5H10.2C5H6.7C3H8.11C2H6.CH4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-7-3-6-8(9)4-1;3*1-2-8-6-4-3-5-7-8;4*1-2-4-5-3-1;7*1-3-2;11*1-2;/h1-10H,11H2;1-8H;1-2,4-5H,3,6-7H2;3*3-7H,2H2,1H3;2*1-5H2;2*1-4H,5H2;7*3H2,1-2H3;11*1-2H3;1H4.
What are the key properties of benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane?
benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane has a molecular weight of 1661.06 g/mol, XLogP of 43.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane is sourced from PubChem (CID 162206246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).