ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene

C15H26 — CID 143018675

IUPACethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCC.CC.c1ccc2c(c1)CCCCC2
InChIInChI=1S/C11H14.2C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2/h4-5,8-9H,1-3,6-7H2;2*1-2H3
InChIKeyMQFRCIBQPRDSEE-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.01
Rot. Bonds

About ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene

ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 143018675) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Nameethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID143018675
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Nameethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCC.CC.c1ccc2c(c1)CCCCC2
InChIInChI=1S/C11H14.2C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2/h4-5,8-9H,1-3,6-7H2;2*1-2H3
InChIKeyMQFRCIBQPRDSEE-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 143018675) is ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene is CC.CC.c1ccc2c(c1)CCCCC2.
What is the InChIKey of ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is MQFRCIBQPRDSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.2C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2/h4-5,8-9H,1-3,6-7H2;2*1-2H3.
What are the key properties of ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene?
ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 206.37 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 143018675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).