2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene

C14H24 — CID 123812745

IUPAC2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene
SMILESCCC1(C)CCCCCC2=C1C2(C)C
InChIInChI=1S/C14H24/c1-5-14(4)10-8-6-7-9-11-12(14)13(11,2)3/h5-10H2,1-4H3
InChIKeyQMCYMXOHDHHZIU-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.70
Rot. Bonds1

About 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene

2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene (PubChem CID 123812745) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene.

Molecular Properties

Compound Name2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene
PubChem CID123812745
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene
SMILESCCC1(C)CCCCCC2=C1C2(C)C
InChIInChI=1S/C14H24/c1-5-14(4)10-8-6-7-9-11-12(14)13(11,2)3/h5-10H2,1-4H3
InChIKeyQMCYMXOHDHHZIU-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.70
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

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(2S)-2-butyl-2-methylcyclohexan-1-one
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1-ethyl-1-methylcyclohexane;molecular hydrogen
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2-(aminomethyl)-2-methylcyclohexan-1-one;hydrochloride
CID 105437255
(2S)-2-decyl-2-methylcyclohexan-1-one
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2-ethyl-2-methylcyclooctane-1,5-dione
CID 141347991
2-[(dimethylamino)methyl]-2-methylcyclohexan-1-one
CID 13308219
1,1-diethylcyclohexane;ethane
CID 142116480
4,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalene
CID 71441384
1-ethyl-1-[(1-ethylcyclopentyl)disulfanyl]cyclopentane
CID 87155135
1-ethyl-1,4,4,5,5,8,8-heptamethyl-2,3,6,7-tetrahydroanthracene
CID 142986955

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene?
The IUPAC name of 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene (CID 123812745) is 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene.
What is the SMILES notation for 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene?
The canonical SMILES for 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene is CCC1(C)CCCCCC2=C1C2(C)C.
What is the InChIKey of 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene?
The InChIKey is QMCYMXOHDHHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-5-14(4)10-8-6-7-9-11-12(14)13(11,2)3/h5-10H2,1-4H3.
What are the key properties of 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene?
2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene has a molecular weight of 192.35 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,9,9-trimethylbicyclo[6.1.0]non-1(8)-ene is sourced from PubChem (CID 123812745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).