2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane

C18H20 — CID 144938588

IUPAC2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
SMILESC1=CC(c2ccc3ccccc3c2)=CCC1.CC
InChIInChI=1S/C16H14.C2H6/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16;1-2/h2,4-12H,1,3H2;1-2H3
InChIKeyLAKSYVMGNQTRSJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.60
Rot. Bonds1

About 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane

2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane (PubChem CID 144938588) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
PubChem CID144938588
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
SMILESC1=CC(c2ccc3ccccc3c2)=CCC1.CC
InChIInChI=1S/C16H14.C2H6/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16;1-2/h2,4-12H,1,3H2;1-2H3
InChIKeyLAKSYVMGNQTRSJ-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-2-amine
CID 146594518
2-(6-cyclohexa-1,5-dien-1-ylnaphthalen-2-yl)-9,10-dinaphthalen-1-ylanthracene
CID 143617555
2-cyclohexa-1,5-dien-1-yl-4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-2-ylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 174349088
1-cyclohexa-1,5-dien-1-yl-4-propan-2-ylbenzene;ethane
CID 142540149
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
2-(3-cyclohexa-1,5-dien-1-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 144909896
1-[4-[3,4-bis(4-methoxyphenyl)-2,5,6-triphenylphenyl]phenyl]-3-cyclohexa-1,5-dien-1-yl-4,5-bis(4-methoxyphenyl)-2,6-diphenylbenzene
CID 142382583
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-naphthalen-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170006850
2,5-di(cyclohexa-1,5-dien-1-yl)aniline
CID 170416463
6-cyclohexa-1,5-dien-1-ylisochromen-1-one
CID 90031317

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane (CID 144938588) is 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane is C1=CC(c2ccc3ccccc3c2)=CCC1.CC.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane?
The InChIKey is LAKSYVMGNQTRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14.C2H6/c1-2-6-13(7-3-1)16-11-10-14-8-4-5-9-15(14)12-16;1-2/h2,4-12H,1,3H2;1-2H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane?
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane has a molecular weight of 236.36 g/mol, XLogP of 5.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane is sourced from PubChem (CID 144938588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).