(1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]

C14H22 — CID 11805533

IUPAC(1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]
SMILESC[C@@]12[C@H]3CCC[C@H]3[C@]1(C)C21CCCC1
InChIInChI=1S/C14H22/c1-12-10-6-5-7-11(10)13(12,2)14(12)8-3-4-9-14/h10-11H,3-9H2,1-2H3/t10-,11+,12+,13-
InChIKeyFPYJUSONWUSCNV-FNFFVJSTSA-N
MW190.33 g/mol
LogP4.00
Rot. Bonds

About (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]

(1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane] (PubChem CID 11805533) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane].

Molecular Properties

Compound Name(1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]
PubChem CID11805533
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]
SMILESC[C@@]12[C@H]3CCC[C@H]3[C@]1(C)C21CCCC1
InChIInChI=1S/C14H22/c1-12-10-6-5-7-11(10)13(12,2)14(12)8-3-4-9-14/h10-11H,3-9H2,1-2H3/t10-,11+,12+,13-
InChIKeyFPYJUSONWUSCNV-FNFFVJSTSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]?
The IUPAC name of (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane] (CID 11805533) is (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane].
What is the SMILES notation for (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]?
The canonical SMILES for (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane] is C[C@@]12[C@H]3CCC[C@H]3[C@]1(C)C21CCCC1.
What is the InChIKey of (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]?
The InChIKey is FPYJUSONWUSCNV-FNFFVJSTSA-N. The full InChI is InChI=1S/C14H22/c1-12-10-6-5-7-11(10)13(12,2)14(12)8-3-4-9-14/h10-11H,3-9H2,1-2H3/t10-,11+,12+,13-.
What are the key properties of (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane]?
(1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane] has a molecular weight of 190.33 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,2'R,4'S,5'S)-2',4'-dimethylspiro[cyclopentane-1,3'-tricyclo[3.3.0.02,4]octane] is sourced from PubChem (CID 11805533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).