2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane

C17H26 — CID 123358979

IUPAC2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane
SMILESCC1(C2CC3(C)C(C)(C)CC4C5(C)C2C453)CC1
InChIInChI=1S/C17H26/c1-13(2)9-11-16(5)12-10(14(3)6-7-14)8-15(13,4)17(11,12)16/h10-12H,6-9H2,1-5H3
InChIKeyHQSPREHFIFOUTK-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.49
Rot. Bonds1

About 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane

2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane (PubChem CID 123358979) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane.

Molecular Properties

Compound Name2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane
PubChem CID123358979
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane
SMILESCC1(C2CC3(C)C(C)(C)CC4C5(C)C2C453)CC1
InChIInChI=1S/C17H26/c1-13(2)9-11-16(5)12-10(14(3)6-7-14)8-15(13,4)17(11,12)16/h10-12H,6-9H2,1-5H3
InChIKeyHQSPREHFIFOUTK-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,5-dimethyl-6-(1-methylcyclopropyl)tricyclo[3.3.0.01,3]octane
CID 123608079
(2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol
CID 130436896
4,7,9,12-tetramethyltetracyclo[7.3.1.14,12.02,7]tetradecane
CID 91570284
(3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine
CID 59048022
[2-(1-methylcyclopropyl)cyclopropyl]cyclohexane
CID 91539241
(9R,13S)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452990
(9S,13S)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
CID 162452993
1,4-dimethyl-2-(1-methylcyclopropyl)cyclopentane
CID 123851354
1-methyl-1-(2-propan-2-ylcyclopropyl)cyclopropane
CID 123525117
(9R)-9,13-dimethyl-2,3,4,5,6,7,8,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene;ethane
CID 166092042
(1R,2R,4S,7R)-2-(3,3-dimethylcyclobutyl)-1,4-dimethylbicyclo[2.2.1]heptan-7-ol
CID 11096193
(1R,3R,5S,7S)-8,8-dichloro-1,4,4,7-tetramethyltricyclo[5.1.0.03,5]octane
CID 23273214

Frequently Asked Questions

What is the IUPAC name of 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane?
The IUPAC name of 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane (CID 123358979) is 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane.
What is the SMILES notation for 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane?
The canonical SMILES for 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane is CC1(C2CC3(C)C(C)(C)CC4C5(C)C2C453)CC1.
What is the InChIKey of 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane?
The InChIKey is HQSPREHFIFOUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-13(2)9-11-16(5)12-10(14(3)6-7-14)8-15(13,4)17(11,12)16/h10-12H,6-9H2,1-5H3.
What are the key properties of 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane?
2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane has a molecular weight of 230.39 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,7-tetramethyl-4-(1-methylcyclopropyl)tetracyclo[4.3.0.01,3.02,9]nonane is sourced from PubChem (CID 123358979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).