ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene

C19H26 — CID 145348138

IUPACethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene
SMILESCC.CC.C[C@@H]1C=CC2=C(C=C1)c1ccccc1C2
InChIInChI=1S/C15H14.2C2H6/c1-11-6-8-13-10-12-4-2-3-5-14(12)15(13)9-7-11;2*1-2/h2-9,11H,10H2,1H3;2*1-2H3/t11-;;/m1../s1
InChIKeyCDLCRYZJMCNIHE-NVJADKKVSA-N
MW254.42 g/mol
LogP5.81
Rot. Bonds

About ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene

ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene (PubChem CID 145348138) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene.

Molecular Properties

Compound Nameethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene
PubChem CID145348138
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Nameethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene
SMILESCC.CC.C[C@@H]1C=CC2=C(C=C1)c1ccccc1C2
InChIInChI=1S/C15H14.2C2H6/c1-11-6-8-13-10-12-4-2-3-5-14(12)15(13)9-7-11;2*1-2/h2-9,11H,10H2,1H3;2*1-2H3/t11-;;/m1../s1
InChIKeyCDLCRYZJMCNIHE-NVJADKKVSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene?
The IUPAC name of ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene (CID 145348138) is ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene.
What is the SMILES notation for ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene?
The canonical SMILES for ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene is CC.CC.C[C@@H]1C=CC2=C(C=C1)c1ccccc1C2.
What is the InChIKey of ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene?
The InChIKey is CDLCRYZJMCNIHE-NVJADKKVSA-N. The full InChI is InChI=1S/C15H14.2C2H6/c1-11-6-8-13-10-12-4-2-3-5-14(12)15(13)9-7-11;2*1-2/h2-9,11H,10H2,1H3;2*1-2H3/t11-;;/m1../s1.
What are the key properties of ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene?
ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene has a molecular weight of 254.42 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7R)-7-methyl-7,10-dihydrobenzo[a]azulene is sourced from PubChem (CID 145348138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).