(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]

C15H26 — CID 162269699

IUPAC(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
SMILESC[C@@H]1CC[C@H](C)C12C1CCCC1C[C@@H]2C
InChIInChI=1S/C15H26/c1-10-7-8-11(2)15(10)12(3)9-13-5-4-6-14(13)15/h10-14H,4-9H2,1-3H3/t10-,11+,12-,13?,14?,15?/m0/s1
InChIKeyDCQRVOJGXAGABR-AGBFLVRWSA-N
MW206.37 g/mol
LogP4.49
Rot. Bonds

About (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]

(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] (PubChem CID 162269699) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane].

Molecular Properties

Compound Name(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
PubChem CID162269699
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
SMILESC[C@@H]1CC[C@H](C)C12C1CCCC1C[C@@H]2C
InChIInChI=1S/C15H26/c1-10-7-8-11(2)15(10)12(3)9-13-5-4-6-14(13)15/h10-14H,4-9H2,1-3H3/t10-,11+,12-,13?,14?,15?/m0/s1
InChIKeyDCQRVOJGXAGABR-AGBFLVRWSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] with MolForge

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Related Compounds

(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 162269378
4-cyclobutyl-1,1,2-trimethylcyclopentane
CID 148918740
1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
CID 175479027
2,3-dimethyltricyclo[4.3.0.02,5]nonane
CID 90794908
2,4,10-trimethyltricyclo[5.3.0.01,5]decane
CID 123676036
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene
CID 58552634
(2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269078
6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
CID 174846059
ethane;methane;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162271460
1,2,4,6-tetramethylspiro[2.3]hexane
CID 91567702
(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
CID 124810976

Frequently Asked Questions

What is the IUPAC name of (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]?
The IUPAC name of (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] (CID 162269699) is (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane].
What is the SMILES notation for (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]?
The canonical SMILES for (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] is C[C@@H]1CC[C@H](C)C12C1CCCC1C[C@@H]2C.
What is the InChIKey of (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]?
The InChIKey is DCQRVOJGXAGABR-AGBFLVRWSA-N. The full InChI is InChI=1S/C15H26/c1-10-7-8-11(2)15(10)12(3)9-13-5-4-6-14(13)15/h10-14H,4-9H2,1-3H3/t10-,11+,12-,13?,14?,15?/m0/s1.
What are the key properties of (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]?
(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] has a molecular weight of 206.37 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] is sourced from PubChem (CID 162269699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).