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

C18H32 — CID 162269078

IUPAC(2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
SMILESCC1C(C)C2C[C@H](C)C3(C2C1C)[C@H](C)CC[C@@H]3C
InChIInChI=1S/C18H32/c1-10-7-8-11(2)18(10)12(3)9-16-14(5)13(4)15(6)17(16)18/h10-17H,7-9H2,1-6H3/t10-,11+,12-,13?,14?,15?,16?,17?,18?/m0/s1
InChIKeyVPKDMYGWCIAVML-TYQZKHRCSA-N
MW248.45 g/mol
LogP5.23
Rot. Bonds

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

(2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] (PubChem CID 162269078) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is (2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane].

Molecular Properties

Compound Name(2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
PubChem CID162269078
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name(2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
SMILESCC1C(C)C2C[C@H](C)C3(C2C1C)[C@H](C)CC[C@@H]3C
InChIInChI=1S/C18H32/c1-10-7-8-11(2)18(10)12(3)9-16-14(5)13(4)15(6)17(16)18/h10-17H,7-9H2,1-6H3/t10-,11+,12-,13?,14?,15?,16?,17?,18?/m0/s1
InChIKeyVPKDMYGWCIAVML-TYQZKHRCSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane
CID 91082201
2,4,10-trimethyltricyclo[5.3.0.01,5]decane
CID 123676036
(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269699
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
1,2,4,6-tetramethylspiro[2.3]hexane
CID 91567702
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 59883784
3,4,5-trimethylbicyclo[4.1.0]heptane-2-thiol
CID 142168890
(2R,3S,4R)-2,3,5-trimethylbicyclo[2.1.1]hexane
CID 163604694
3,7,8-trimethylbicyclo[4.2.0]octane
CID 58950408
2,7,9,10-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 90983654
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136

Frequently Asked Questions

What is the IUPAC name of (2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]?
The IUPAC name of (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) is (2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane].
What is the SMILES notation for (2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]?
The canonical SMILES for (2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] is CC1C(C)C2C[C@H](C)C3(C2C1C)[C@H](C)CC[C@@H]3C.
What is the InChIKey of (2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]?
The InChIKey is VPKDMYGWCIAVML-TYQZKHRCSA-N. The full InChI is InChI=1S/C18H32/c1-10-7-8-11(2)18(10)12(3)9-16-14(5)13(4)15(6)17(16)18/h10-17H,7-9H2,1-6H3/t10-,11+,12-,13?,14?,15?,16?,17?,18?/m0/s1.
What are the key properties of (2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]?
(2'R,5S,5'S)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] has a molecular weight of 248.45 g/mol, XLogP of 5.23, 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)-1,2,2',3,5,5'-hexamethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane] is sourced from PubChem (CID 162269078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).