ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene

C16H24 — CID 169195757

IUPACethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene
SMILESCC.CCc1ccc2c(c1)CC/C=C\CC2
InChIInChI=1S/C14H18.C2H6/c1-2-12-9-10-13-7-5-3-4-6-8-14(13)11-12;1-2/h3-4,9-11H,2,5-8H2,1H3;1-2H3/b4-3-;
InChIKeyYWAXCBAMVQIWJI-LNKPDPKZSA-N
MW216.37 g/mol
LogP4.71
Rot. Bonds1

About ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene

ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene (PubChem CID 169195757) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene.

Molecular Properties

Compound Nameethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene
PubChem CID169195757
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Nameethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene
SMILESCC.CCc1ccc2c(c1)CC/C=C\CC2
InChIInChI=1S/C14H18.C2H6/c1-2-12-9-10-13-7-5-3-4-6-8-14(13)11-12;1-2/h3-4,9-11H,2,5-8H2,1H3;1-2H3/b4-3-;
InChIKeyYWAXCBAMVQIWJI-LNKPDPKZSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-8,9-dihydro-5H-benzo[7]annulene
CID 139900760
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
1-(7-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 143342026
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-ethylethane-1,2-diamine
CID 115205974
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
7-ethyl-3,4-dihydronaphthalene-1-carbonitrile
CID 82075141
2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 138530633
N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine
CID 59383746
5-ethyl-2,3-dihydro-1H-indene;4-propan-2-yl-2,3-dihydro-1H-indene
CID 178128583

Frequently Asked Questions

What is the IUPAC name of ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene?
The IUPAC name of ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene (CID 169195757) is ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene.
What is the SMILES notation for ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene?
The canonical SMILES for ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene is CC.CCc1ccc2c(c1)CC/C=C\CC2.
What is the InChIKey of ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene?
The InChIKey is YWAXCBAMVQIWJI-LNKPDPKZSA-N. The full InChI is InChI=1S/C14H18.C2H6/c1-2-12-9-10-13-7-5-3-4-6-8-14(13)11-12;1-2/h3-4,9-11H,2,5-8H2,1H3;1-2H3/b4-3-;.
What are the key properties of ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene?
ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene has a molecular weight of 216.37 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene is sourced from PubChem (CID 169195757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).