1,3-dimethylidenecyclopenta[b]naphthalene;ethane

C19H24 — CID 91140951

IUPAC1,3-dimethylidenecyclopenta[b]naphthalene;ethane
SMILESC=C1CC(=C)c2cc3ccccc3cc21.CC.CC
InChIInChI=1S/C15H12.2C2H6/c1-10-7-11(2)15-9-13-6-4-3-5-12(13)8-14(10)15;2*1-2/h3-6,8-9H,1-2,7H2;2*1-2H3
InChIKeyHPJXIXSBGDGWEB-UHFFFAOYSA-N
MW252.40 g/mol
LogP6.32
Rot. Bonds

About 1,3-dimethylidenecyclopenta[b]naphthalene;ethane

1,3-dimethylidenecyclopenta[b]naphthalene;ethane (PubChem CID 91140951) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1,3-dimethylidenecyclopenta[b]naphthalene;ethane.

Molecular Properties

Compound Name1,3-dimethylidenecyclopenta[b]naphthalene;ethane
PubChem CID91140951
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1,3-dimethylidenecyclopenta[b]naphthalene;ethane
SMILESC=C1CC(=C)c2cc3ccccc3cc21.CC.CC
InChIInChI=1S/C15H12.2C2H6/c1-10-7-11(2)15-9-13-6-4-3-5-12(13)8-14(10)15;2*1-2/h3-6,8-9H,1-2,7H2;2*1-2H3
InChIKeyHPJXIXSBGDGWEB-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1H-cyclopropa[b]naphthalene;ethane
CID 144907572
ethane;pentacene-6,13-dione
CID 91293848
anthracene;ethane;naphthalene
CID 159079166
ethane;pentacene
CID 91470616
tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 142172700
hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
CID 58250867
benzo[k]fluoranthene;ethane
CID 142369852
nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194
benzene;tetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 175426701
ethane;naphthalene
CID 144512894
12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;ethane
CID 91266782
3-methylidenecyclopenta[b]naphthalene
CID 12699885

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylidenecyclopenta[b]naphthalene;ethane?
The IUPAC name of 1,3-dimethylidenecyclopenta[b]naphthalene;ethane (CID 91140951) is 1,3-dimethylidenecyclopenta[b]naphthalene;ethane.
What is the SMILES notation for 1,3-dimethylidenecyclopenta[b]naphthalene;ethane?
The canonical SMILES for 1,3-dimethylidenecyclopenta[b]naphthalene;ethane is C=C1CC(=C)c2cc3ccccc3cc21.CC.CC.
What is the InChIKey of 1,3-dimethylidenecyclopenta[b]naphthalene;ethane?
The InChIKey is HPJXIXSBGDGWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.2C2H6/c1-10-7-11(2)15-9-13-6-4-3-5-12(13)8-14(10)15;2*1-2/h3-6,8-9H,1-2,7H2;2*1-2H3.
What are the key properties of 1,3-dimethylidenecyclopenta[b]naphthalene;ethane?
1,3-dimethylidenecyclopenta[b]naphthalene;ethane has a molecular weight of 252.40 g/mol, XLogP of 6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylidenecyclopenta[b]naphthalene;ethane is sourced from PubChem (CID 91140951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).