(7R)-7-methyl-2-propylspiro[3.4]octane

C12H22 — CID 167622159

IUPAC(7R)-7-methyl-2-propylspiro[3.4]octane
SMILESCCCC1CC2(CC[C@@H](C)C2)C1
InChIInChI=1S/C12H22/c1-3-4-11-8-12(9-11)6-5-10(2)7-12/h10-11H,3-9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyYQAJJTUUQWWVDU-VOMCLLRMSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds2

About (7R)-7-methyl-2-propylspiro[3.4]octane

(7R)-7-methyl-2-propylspiro[3.4]octane (PubChem CID 167622159) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (7R)-7-methyl-2-propylspiro[3.4]octane.

Molecular Properties

Compound Name(7R)-7-methyl-2-propylspiro[3.4]octane
PubChem CID167622159
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(7R)-7-methyl-2-propylspiro[3.4]octane
SMILESCCCC1CC2(CC[C@@H](C)C2)C1
InChIInChI=1S/C12H22/c1-3-4-11-8-12(9-11)6-5-10(2)7-12/h10-11H,3-9H2,1-2H3/t10-,11?,12?/m1/s1
InChIKeyYQAJJTUUQWWVDU-VOMCLLRMSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-7-propylspiro[3.5]nonane
CID 149299427
2,7-dimethylspiro[3.4]octane
CID 142902956
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
N-methyl-1-[(7R)-7-methylspiro[3.4]octan-2-yl]methanamine
CID 155332094
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
ethane;(3S)-3-propylspiro[4.4]nonane
CID 177054830
3-propyl-8-azaspiro[4.5]decane
CID 177021329
3-iodo-8-methylspiro[4.4]nonane
CID 154690645
7-propylspiro[3.5]nonane
CID 144910869
ethane;3-methylspiro[4.4]nonane
CID 168995417
(3R)-3-methylspiro[4.5]decane
CID 140778087
3-propylspiro[5.6]dodecane
CID 163613469

Frequently Asked Questions

What is the IUPAC name of (7R)-7-methyl-2-propylspiro[3.4]octane?
The IUPAC name of (7R)-7-methyl-2-propylspiro[3.4]octane (CID 167622159) is (7R)-7-methyl-2-propylspiro[3.4]octane.
What is the SMILES notation for (7R)-7-methyl-2-propylspiro[3.4]octane?
The canonical SMILES for (7R)-7-methyl-2-propylspiro[3.4]octane is CCCC1CC2(CC[C@@H](C)C2)C1.
What is the InChIKey of (7R)-7-methyl-2-propylspiro[3.4]octane?
The InChIKey is YQAJJTUUQWWVDU-VOMCLLRMSA-N. The full InChI is InChI=1S/C12H22/c1-3-4-11-8-12(9-11)6-5-10(2)7-12/h10-11H,3-9H2,1-2H3/t10-,11?,12?/m1/s1.
What are the key properties of (7R)-7-methyl-2-propylspiro[3.4]octane?
(7R)-7-methyl-2-propylspiro[3.4]octane has a molecular weight of 166.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methyl-2-propylspiro[3.4]octane is sourced from PubChem (CID 167622159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).