ethane;ethylbenzene;9H-fluorene;methylcyclopentane

C29H38 — CID 91074551

IUPACethane;ethylbenzene;9H-fluorene;methylcyclopentane
SMILESCC.CC1CCCC1.CCc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C8H10.C6H12.C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-8-6-4-3-5-7-8;1-6-4-2-3-5-6;1-2/h1-8H,9H2;3-7H,2H2,1H3;6H,2-5H2,1H3;1-2H3
InChIKeyCVJXUXDCWZPIOX-UHFFFAOYSA-N
MW386.62 g/mol
LogP8.73
Rot. Bonds1

About ethane;ethylbenzene;9H-fluorene;methylcyclopentane

ethane;ethylbenzene;9H-fluorene;methylcyclopentane (PubChem CID 91074551) has the molecular formula C29H38 and a molecular weight of 386.62 g/mol. Its IUPAC name is ethane;ethylbenzene;9H-fluorene;methylcyclopentane.

Molecular Properties

Compound Nameethane;ethylbenzene;9H-fluorene;methylcyclopentane
PubChem CID91074551
Molecular FormulaC29H38
Molecular Weight386.62 g/mol
Exact Mass386.30
IUPAC Nameethane;ethylbenzene;9H-fluorene;methylcyclopentane
SMILESCC.CC1CCCC1.CCc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C8H10.C6H12.C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-8-6-4-3-5-7-8;1-6-4-2-3-5-6;1-2/h1-8H,9H2;3-7H,2H2,1H3;6H,2-5H2,1H3;1-2H3
InChIKeyCVJXUXDCWZPIOX-UHFFFAOYSA-N
XLogP8.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 176989756
ethane;1-ethyl-4-(4-ethylphenoxy)benzene;9H-fluorene
CID 158173229
ethane;ethylbenzene
CID 90887003
ethane;2-ethyltriphenylene;9H-fluorene
CID 158463433
ethanamine;9H-fluorene
CID 158316259
ethane;9H-fluorene;propanoic acid
CID 90836645
benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)
CID 165033645
ethylbenzene;2-methyloxane
CID 159203752
ethylbenzene;methane;bis(1,2,3,4-tetrahydronaphthalene)
CID 159734634
ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705
9H-fluorene;nonylbenzene
CID 161236553

Frequently Asked Questions

What is the IUPAC name of ethane;ethylbenzene;9H-fluorene;methylcyclopentane?
The IUPAC name of ethane;ethylbenzene;9H-fluorene;methylcyclopentane (CID 91074551) is ethane;ethylbenzene;9H-fluorene;methylcyclopentane.
What is the SMILES notation for ethane;ethylbenzene;9H-fluorene;methylcyclopentane?
The canonical SMILES for ethane;ethylbenzene;9H-fluorene;methylcyclopentane is CC.CC1CCCC1.CCc1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of ethane;ethylbenzene;9H-fluorene;methylcyclopentane?
The InChIKey is CVJXUXDCWZPIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C8H10.C6H12.C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-8-6-4-3-5-7-8;1-6-4-2-3-5-6;1-2/h1-8H,9H2;3-7H,2H2,1H3;6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;ethylbenzene;9H-fluorene;methylcyclopentane?
ethane;ethylbenzene;9H-fluorene;methylcyclopentane has a molecular weight of 386.62 g/mol, XLogP of 8.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylbenzene;9H-fluorene;methylcyclopentane is sourced from PubChem (CID 91074551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).