1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane

C16H26 — CID 154302645

IUPAC1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane
SMILESCC(C)=C=C1C(C)(C)CCCCC2CC12C
InChIInChI=1S/C16H26/c1-12(2)10-14-15(3,4)9-7-6-8-13-11-16(13,14)5/h13H,6-9,11H2,1-5H3
InChIKeyHWGFEIMMWOKYRW-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.10
Rot. Bonds

About 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane

1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane (PubChem CID 154302645) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane
PubChem CID154302645
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane
SMILESCC(C)=C=C1C(C)(C)CCCCC2CC12C
InChIInChI=1S/C16H26/c1-12(2)10-14-15(3,4)9-7-6-8-13-11-16(13,14)5/h13H,6-9,11H2,1-5H3
InChIKeyHWGFEIMMWOKYRW-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Spiro[bicyclo[6.1.0]nonane-9,1'-cyclopentane], 3'-methylene-
CID 556715
6-(3,4-Diethyl-4-methylhexan-3-yl)-7-ethyl-2,3,4-trimethylbicyclo[6.1.0]non-2-ene
CID 91030926
7-[2-[3-(1,3-Dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane
CID 91225068
1-(2-Cyclopropylpropyl)-4-ethyl-5-methyl-1-(3-methylbut-3-en-2-yl)cyclooctane
CID 123589543
1-Ethyl-1-methyl-4-[2-(4-methyl-3-methylidenepentan-2-yl)cyclopropyl]cyclononane
CID 123685267
5-Tert-butyltricyclo[7.3.0.04,6]dodec-1(9)-ene
CID 157599467
2-(2-Methylprop-1-enylidene)bicyclo[6.1.0]nonane
CID 173299405
(4Z)-1,4,5,8,9-pentamethylbicyclo[6.1.0]non-4-ene
CID 173903796
1-Methyl-5-(3-methylidenehex-5-enyl)bicyclo[6.1.0]nonane
CID 143264114
4,4,12,12-Tetramethyl-8-methylidenetricyclo[7.3.0.03,5]dodecane
CID 162817682
(1S,3S,5R,9R)-4,4,12,12-tetramethyl-8-methylidenetricyclo[7.3.0.03,5]dodecane
CID 162817683
3,3,12-Trimethyl-8-methylidenetricyclo[7.3.0.02,4]dodecane
CID 162865985

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane?
The IUPAC name of 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane (CID 154302645) is 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane.
What is the SMILES notation for 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane?
The canonical SMILES for 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane is CC(C)=C=C1C(C)(C)CCCCC2CC12C.
What is the InChIKey of 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane?
The InChIKey is HWGFEIMMWOKYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-12(2)10-14-15(3,4)9-7-6-8-13-11-16(13,14)5/h13H,6-9,11H2,1-5H3.
What are the key properties of 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane?
1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane has a molecular weight of 218.38 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(2-methylprop-1-enylidene)bicyclo[6.1.0]nonane is sourced from PubChem (CID 154302645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).