(2S,3S)-2,3-dimethylspiro[4.4]nonane

C11H20 — CID 58622704

IUPAC(2S,3S)-2,3-dimethylspiro[4.4]nonane
SMILESC[C@H]1CC2(CCCC2)C[C@@H]1C
InChIInChI=1S/C11H20/c1-9-7-11(8-10(9)2)5-3-4-6-11/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyGYOUCMCTAHNQAF-UWVGGRQHSA-N
MW152.28 g/mol
LogP3.61
Rot. Bonds

About (2S,3S)-2,3-dimethylspiro[4.4]nonane

(2S,3S)-2,3-dimethylspiro[4.4]nonane (PubChem CID 58622704) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethylspiro[4.4]nonane.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethylspiro[4.4]nonane
PubChem CID58622704
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(2S,3S)-2,3-dimethylspiro[4.4]nonane
SMILESC[C@H]1CC2(CCCC2)C[C@@H]1C
InChIInChI=1S/C11H20/c1-9-7-11(8-10(9)2)5-3-4-6-11/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyGYOUCMCTAHNQAF-UWVGGRQHSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethylspiro[4.4]nonane?
The IUPAC name of (2S,3S)-2,3-dimethylspiro[4.4]nonane (CID 58622704) is (2S,3S)-2,3-dimethylspiro[4.4]nonane.
What is the SMILES notation for (2S,3S)-2,3-dimethylspiro[4.4]nonane?
The canonical SMILES for (2S,3S)-2,3-dimethylspiro[4.4]nonane is C[C@H]1CC2(CCCC2)C[C@@H]1C.
What is the InChIKey of (2S,3S)-2,3-dimethylspiro[4.4]nonane?
The InChIKey is GYOUCMCTAHNQAF-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20/c1-9-7-11(8-10(9)2)5-3-4-6-11/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethylspiro[4.4]nonane?
(2S,3S)-2,3-dimethylspiro[4.4]nonane has a molecular weight of 152.28 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethylspiro[4.4]nonane is sourced from PubChem (CID 58622704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).