3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane

C20H34 — CID 123188037

IUPAC3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane
SMILESCC1CCCC2(C1)CC(C1CCC3(CC1)CCC3C)C2
InChIInChI=1S/C20H34/c1-15-4-3-8-19(12-15)13-18(14-19)17-6-10-20(11-7-17)9-5-16(20)2/h15-18H,3-14H2,1-2H3
InChIKeyXOYHARJQFSYCIN-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.20
Rot. Bonds1

About 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane

3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane (PubChem CID 123188037) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane.

Molecular Properties

Compound Name3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane
PubChem CID123188037
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane
SMILESCC1CCCC2(C1)CC(C1CCC3(CC1)CCC3C)C2
InChIInChI=1S/C20H34/c1-15-4-3-8-19(12-15)13-18(14-19)17-6-10-20(11-7-17)9-5-16(20)2/h15-18H,3-14H2,1-2H3
InChIKeyXOYHARJQFSYCIN-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methylspiro[3.5]nonane
CID 57473010
methane;5-methyl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene;2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene;methylcyclobutane;2-methylspiro[3.3]heptane;8-methylspiro[3.5]nonane
CID 160680109
2,7-dimethylspiro[3.4]octane
CID 142902956
(4S)-4-methylspiro[4.4]nonane
CID 148967518
ethane;3-methylspiro[4.4]nonane
CID 168995417
(3R)-3-methylspiro[4.5]decane
CID 140778087
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one
CID 163396323
cis-(1R,3R)-3-methyl-1-propan-2-ylcyclohexan-1-ol
CID 118858373

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane?
The IUPAC name of 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane (CID 123188037) is 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane.
What is the SMILES notation for 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane?
The canonical SMILES for 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane is CC1CCCC2(C1)CC(C1CCC3(CC1)CCC3C)C2.
What is the InChIKey of 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane?
The InChIKey is XOYHARJQFSYCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-15-4-3-8-19(12-15)13-18(14-19)17-6-10-20(11-7-17)9-5-16(20)2/h15-18H,3-14H2,1-2H3.
What are the key properties of 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane?
3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane has a molecular weight of 274.49 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane is sourced from PubChem (CID 123188037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).