ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene

C15H26 — CID 143640456

IUPACethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene
SMILESC1=CCC=C2CCCCC2=C1.CC.CC
InChIInChI=1S/C11H14.2C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2/h1-2,6-7H,3-5,8-9H2;2*1-2H3
InChIKeyKXXCQSCGSCSKSG-UHFFFAOYSA-N
MW206.37 g/mol
LogP5.43
Rot. Bonds

About ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene

ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene (PubChem CID 143640456) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene.

Molecular Properties

Compound Nameethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene
PubChem CID143640456
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Nameethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene
SMILESC1=CCC=C2CCCCC2=C1.CC.CC
InChIInChI=1S/C11H14.2C2H6/c1-2-6-10-8-4-5-9-11(10)7-3-1;2*1-2/h1-2,6-7H,3-5,8-9H2;2*1-2H3
InChIKeyKXXCQSCGSCSKSG-UHFFFAOYSA-N
XLogP5.43
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 ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174520599
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
2-(cyclohexen-1-yl)cyclohepta-1,3,5-triene
CID 173241187
3-methyl-1,7-dihydrocyclohepta[c]pyrrole
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2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yldiazene
CID 90160209
7-[amino(methyl)amino]cyclohepta-1,3,6-trien-1-amine
CID 89146882
ethane;2-methyl-3-methylsulfanylcyclohepta-1,3,5-triene
CID 143029310
(1Z,3E)-3-[(3Z)-cycloocta-1,3-dien-1-yl]cycloocta-1,3,5-triene
CID 173104583
(3Z,5Z)-2-[(3E)-cyclonona-1,3-dien-1-yl]cyclonona-1,3,5-triene
CID 173380174
(1E)-1-[(1E)-cyclopentadecen-1-yl]cyclopentadecene
CID 139760940
1-(cyclodecen-1-yl)cyclodecene
CID 54296371

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene?
The IUPAC name of ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene (CID 143640456) is ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene.
What is the SMILES notation for ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene?
The canonical SMILES for ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene is C1=CCC=C2CCCCC2=C1.CC.CC.
What is the InChIKey of ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene?
The InChIKey is KXXCQSCGSCSKSG-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/h1-2,6-7H,3-5,8-9H2;2*1-2H3.
What are the key properties of ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene?
ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene has a molecular weight of 206.37 g/mol, XLogP of 5.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,8-tetrahydro-1H-benzo[7]annulene is sourced from PubChem (CID 143640456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).