(2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]

C14H22 — CID 12720717

IUPAC(2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]
SMILESC[C@@H]1[C@H](C)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H22/c1-8-9(2)14(8)12-4-10-3-11(6-12)7-13(14)5-10/h8-13H,3-7H2,1-2H3/t8-,9+,10?,11?,12?,13?,14?
InChIKeyHTKMIRKZKZDWHN-ABRUSECSSA-N
MW190.33 g/mol
LogP3.71
Rot. Bonds

About (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]

(2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane] (PubChem CID 12720717) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane].

Molecular Properties

Compound Name(2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]
PubChem CID12720717
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]
SMILESC[C@@H]1[C@H](C)C12C1CC3CC(C1)CC2C3
InChIInChI=1S/C14H22/c1-8-9(2)14(8)12-4-10-3-11(6-12)7-13(14)5-10/h8-13H,3-7H2,1-2H3/t8-,9+,10?,11?,12?,13?,14?
InChIKeyHTKMIRKZKZDWHN-ABRUSECSSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-Dimethyladamantane
CID 12800
1,3,5-Trimethyladamantane
CID 136552
1-Methyladamantane
CID 136607
2-Methyladamantane
CID 136535
2-Ethyladamantane
CID 139758
2-Propyladamantane
CID 518952
1-Ethyl-3-methyladamantane
CID 519330
1,3-Dimethyl-5-ethyladamantane
CID 519331
1-Ethyladamantane
CID 522637
1,2,5,7-Tetramethyladamantane
CID 600873
2,2-Dimethyladamantane
CID 140578
1-Methyldiadamantane
CID 141296

Frequently Asked Questions

What is the IUPAC name of (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]?
The IUPAC name of (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane] (CID 12720717) is (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane].
What is the SMILES notation for (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]?
The canonical SMILES for (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane] is C[C@@H]1[C@H](C)C12C1CC3CC(C1)CC2C3.
What is the InChIKey of (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]?
The InChIKey is HTKMIRKZKZDWHN-ABRUSECSSA-N. The full InChI is InChI=1S/C14H22/c1-8-9(2)14(8)12-4-10-3-11(6-12)7-13(14)5-10/h8-13H,3-7H2,1-2H3/t8-,9+,10?,11?,12?,13?,14?.
What are the key properties of (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane]?
(2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane] has a molecular weight of 190.33 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3'R)-2',3'-dimethylspiro[adamantane-2,1'-cyclopropane] is sourced from PubChem (CID 12720717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).