ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene

C19H36 — CID 91190032

IUPACethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
SMILESCC.CC.CC.CC1CCCCCc2ccccc21
InChIInChI=1S/C13H18.3C2H6/c1-11-7-3-2-4-8-12-9-5-6-10-13(11)12;3*1-2/h5-6,9-11H,2-4,7-8H2,1H3;3*1-2H3
InChIKeyXVOOUCWMACYKHW-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.99
Rot. Bonds

About ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene

ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene (PubChem CID 91190032) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene.

Molecular Properties

Compound Nameethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
PubChem CID91190032
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Nameethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
SMILESCC.CC.CC.CC1CCCCCc2ccccc21
InChIInChI=1S/C13H18.3C2H6/c1-11-7-3-2-4-8-12-9-5-6-10-13(11)12;3*1-2/h5-6,9-11H,2-4,7-8H2,1H3;3*1-2H3
InChIKeyXVOOUCWMACYKHW-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-dimethyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 123902879
methane;2-methyloxane;2-methyloxolane;1-methyl-1,2,3,4-tetrahydronaphthalene
CID 159773776
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143018675
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide
CID 140609234
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
2-bromo-5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 167601855
8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The IUPAC name of ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene (CID 91190032) is ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene.
What is the SMILES notation for ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The canonical SMILES for ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene is CC.CC.CC.CC1CCCCCc2ccccc21.
What is the InChIKey of ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
The InChIKey is XVOOUCWMACYKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18.3C2H6/c1-11-7-3-2-4-8-12-9-5-6-10-13(11)12;3*1-2/h5-6,9-11H,2-4,7-8H2,1H3;3*1-2H3.
What are the key properties of ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene?
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene has a molecular weight of 264.50 g/mol, XLogP of 6.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene is sourced from PubChem (CID 91190032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).