ethane;4,5,9,10-tetrahydropyrene

C18H20 — CID 157285426

IUPACethane;4,5,9,10-tetrahydropyrene
SMILESCC.c1cc2c3c(c1)CCc1cccc(c1-3)CC2
InChIInChI=1S/C16H14.C2H6/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2/h1-6H,7-10H2;1-2H3
InChIKeyBAEGTPXMLUEKAS-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.58
Rot. Bonds

About ethane;4,5,9,10-tetrahydropyrene

ethane;4,5,9,10-tetrahydropyrene (PubChem CID 157285426) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;4,5,9,10-tetrahydropyrene.

Molecular Properties

Compound Nameethane;4,5,9,10-tetrahydropyrene
PubChem CID157285426
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Nameethane;4,5,9,10-tetrahydropyrene
SMILESCC.c1cc2c3c(c1)CCc1cccc(c1-3)CC2
InChIInChI=1S/C16H14.C2H6/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2/h1-6H,7-10H2;1-2H3
InChIKeyBAEGTPXMLUEKAS-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-methyl-4,5,9,10-tetrahydropyrene
CID 144543507
ethane;2-methyl-4,5,9,10-tetrahydropyrene
CID 91241370
9,10-dihydrophenanthrene;ethane
CID 143759681
2-[1-phenyl-2,2-bis(4,5,9,10-tetrahydropyren-2-yl)ethenyl]-4,5,9,10-tetrahydropyrene
CID 139204624
7-propan-2-yl-2,3-dihydroinden-1-one
CID 45096604
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
9,10-dihydrophenanthren-4-amine
CID 12836481
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
1,2-dihydroacenaphthylene
CID 161018660
tricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaene-3,18-diol
CID 132501157
2-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11506999
3-methoxy-9,10-dihydrophenanthrene-4,5-diol
CID 11499706

Frequently Asked Questions

What is the IUPAC name of ethane;4,5,9,10-tetrahydropyrene?
The IUPAC name of ethane;4,5,9,10-tetrahydropyrene (CID 157285426) is ethane;4,5,9,10-tetrahydropyrene.
What is the SMILES notation for ethane;4,5,9,10-tetrahydropyrene?
The canonical SMILES for ethane;4,5,9,10-tetrahydropyrene is CC.c1cc2c3c(c1)CCc1cccc(c1-3)CC2.
What is the InChIKey of ethane;4,5,9,10-tetrahydropyrene?
The InChIKey is BAEGTPXMLUEKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C2H6/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;1-2/h1-6H,7-10H2;1-2H3.
What are the key properties of ethane;4,5,9,10-tetrahydropyrene?
ethane;4,5,9,10-tetrahydropyrene has a molecular weight of 236.36 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,5,9,10-tetrahydropyrene is sourced from PubChem (CID 157285426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).