7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane

C12H18 — CID 90755287

IUPAC7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane
SMILESC=C1C2CC(CC)C3CC3CC12
InChIInChI=1S/C12H18/c1-3-8-4-10-7(2)11(10)5-9-6-12(8)9/h8-12H,2-6H2,1H3
InChIKeySPEXWLHBOHSDPB-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.24
Rot. Bonds1

About 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane

7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane (PubChem CID 90755287) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane.

Molecular Properties

Compound Name7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane
PubChem CID90755287
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane
SMILESC=C1C2CC(CC)C3CC3CC12
InChIInChI=1S/C12H18/c1-3-8-4-10-7(2)11(10)5-9-6-12(8)9/h8-12H,2-6H2,1H3
InChIKeySPEXWLHBOHSDPB-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.24
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

(1S,2R,6R)-2-ethyl-4-methylbicyclo[4.1.0]heptane
CID 144517019
6-ethyl-3-methylbicyclo[3.2.0]heptane
CID 147399141
2-(2-methylidenebutyl)bicyclo[2.1.0]pentane
CID 123554631
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
8-ethyl-3,5-dioxatricyclo[5.2.1.02,6]decan-4-one
CID 131983355
(2S)-2-ethylbicyclo[2.2.0]hexane
CID 143524617
1,3-diethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
CID 22973488
(2R,3R,8R)-13-ethyl-2,14-dimethyl-16-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
CID 162302289
3-[(1R,7S)-6-amino-9-ethyl-3-bicyclo[5.2.0]nona-4,5-dienyl]but-3-en-2-one
CID 176528728
2,5-diethyl-3-(trifluoromethyl)bicyclo[2.2.1]heptane;ethane
CID 143247210
2,7-diethylbicyclo[2.2.1]heptane
CID 146718976
(2R)-2-ethylcyclopropan-1-ol
CID 173498082

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane?
The IUPAC name of 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane (CID 90755287) is 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane.
What is the SMILES notation for 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane?
The canonical SMILES for 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane is C=C1C2CC(CC)C3CC3CC12.
What is the InChIKey of 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane?
The InChIKey is SPEXWLHBOHSDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-8-4-10-7(2)11(10)5-9-6-12(8)9/h8-12H,2-6H2,1H3.
What are the key properties of 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane?
7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane has a molecular weight of 162.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methylidenetricyclo[6.1.0.03,5]nonane is sourced from PubChem (CID 90755287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).