(4S)-4-methylspiro[4.4]nonane

C10H18 — CID 148967518

IUPAC(4S)-4-methylspiro[4.4]nonane
SMILESC[C@H]1CCCC12CCCC2
InChIInChI=1S/C10H18/c1-9-5-4-8-10(9)6-2-3-7-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyPTFGWCDDZQHBBP-VIFPVBQESA-N
MW138.25 g/mol
LogP3.37
Rot. Bonds

About (4S)-4-methylspiro[4.4]nonane

(4S)-4-methylspiro[4.4]nonane (PubChem CID 148967518) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (4S)-4-methylspiro[4.4]nonane.

Molecular Properties

Compound Name(4S)-4-methylspiro[4.4]nonane
PubChem CID148967518
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(4S)-4-methylspiro[4.4]nonane
SMILESC[C@H]1CCCC12CCCC2
InChIInChI=1S/C10H18/c1-9-5-4-8-10(9)6-2-3-7-10/h9H,2-8H2,1H3/t9-/m0/s1
InChIKeyPTFGWCDDZQHBBP-VIFPVBQESA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(9R)-9-methylspiro[3.5]nonane
CID 140885739
3-methylspiro[3.5]nonane
CID 57473010
3,11-dimethyl-3-azaspiro[5.5]undecane
CID 118029302
(5S)-2,5-dimethyl-2-azaspiro[3.4]octane;ethane
CID 169125292
4-methyl-8-propyl-8-azaspiro[4.5]decane
CID 177177755
(5R,9S)-9-methyl-2-azaspiro[4.4]nonan-3-one
CID 97030978
(9S,10R)-9-methylspiro[4.5]decan-10-amine
CID 42611664
(7R)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7S,10S)-10-methyl-7-propan-2-ylspiro[4.5]decane;(7R,10R)-10-methyl-7-propan-2-ylspiro[4.5]decane
CID 161061988
4-methyl-7-azaspiro[4.5]decan-8-one
CID 102737251
4,7,9-trimethylspiro[4.5]dec-8-ene
CID 141056320
1,1-difluoro-2-methylcyclohexane
CID 15044189
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methylspiro[4.4]nonane?
The IUPAC name of (4S)-4-methylspiro[4.4]nonane (CID 148967518) is (4S)-4-methylspiro[4.4]nonane.
What is the SMILES notation for (4S)-4-methylspiro[4.4]nonane?
The canonical SMILES for (4S)-4-methylspiro[4.4]nonane is C[C@H]1CCCC12CCCC2.
What is the InChIKey of (4S)-4-methylspiro[4.4]nonane?
The InChIKey is PTFGWCDDZQHBBP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18/c1-9-5-4-8-10(9)6-2-3-7-10/h9H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-4-methylspiro[4.4]nonane?
(4S)-4-methylspiro[4.4]nonane has a molecular weight of 138.25 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methylspiro[4.4]nonane is sourced from PubChem (CID 148967518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).