ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

C23H26 — CID 143923022

IUPACethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESC=C(Cc1cccc2c1C=CC1CC21)c1ccccc1C.CC
InChIInChI=1S/C21H20.C2H6/c1-14-6-3-4-8-18(14)15(2)12-16-7-5-9-20-19(16)11-10-17-13-21(17)20;1-2/h3-11,17,21H,2,12-13H2,1H3;1-2H3
InChIKeyDYUSWOILDMPPCC-UHFFFAOYSA-N
MW302.46 g/mol
LogP6.41
Rot. Bonds3

About ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene

ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (PubChem CID 143923022) has the molecular formula C23H26 and a molecular weight of 302.46 g/mol. Its IUPAC name is ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.

Molecular Properties

Compound Nameethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
PubChem CID143923022
Molecular FormulaC23H26
Molecular Weight302.46 g/mol
Exact Mass302.20
IUPAC Nameethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
SMILESC=C(Cc1cccc2c1C=CC1CC21)c1ccccc1C.CC
InChIInChI=1S/C21H20.C2H6/c1-14-6-3-4-8-18(14)15(2)12-16-7-5-9-20-19(16)11-10-17-13-21(17)20;1-2/h3-11,17,21H,2,12-13H2,1H3;1-2H3
InChIKeyDYUSWOILDMPPCC-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium
CID 162269712
1-methyl-2-prop-2-enylbenzene;2-methyl-3-prop-2-enylbicyclo[4.1.0]hepta-2,4-diene
CID 143183933
3-[2-(2-methylphenyl)prop-2-enyl]aniline
CID 143547599
1-hex-1-en-2-yl-2-methylbenzene
CID 10535245
7-ethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
CID 142181883
[10-(2,3-dimethylbenzoyl)oxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2,3-dimethylbenzoate
CID 166987609
4-(2-methylphenyl)pent-4-enamide
CID 146545634
[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
CID 117071524
(4E)-6-methyl-5-methylidene-4-prop-2-enylidene-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
CID 145218039
8,9-bis(ethenyl)tetracyclo[8.5.0.02,7.013,15]pentadeca-1(10),2,4,6,8,11-hexaene;ethane
CID 143846018
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701
2-[2-[2-[(dimethylamino)methyl]phenyl]prop-2-enyl]phenol
CID 13144288

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The IUPAC name of ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene (CID 143923022) is ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene.
What is the SMILES notation for ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The canonical SMILES for ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is C=C(Cc1cccc2c1C=CC1CC21)c1ccccc1C.CC.
What is the InChIKey of ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
The InChIKey is DYUSWOILDMPPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20.C2H6/c1-14-6-3-4-8-18(14)15(2)12-16-7-5-9-20-19(16)11-10-17-13-21(17)20;1-2/h3-11,17,21H,2,12-13H2,1H3;1-2H3.
What are the key properties of ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene?
ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene has a molecular weight of 302.46 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene is sourced from PubChem (CID 143923022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).