2-methyl-7-propylspiro[3.5]nonane

C13H24 — CID 149299427

IUPAC2-methyl-7-propylspiro[3.5]nonane
SMILESCCCC1CCC2(CC1)CC(C)C2
InChIInChI=1S/C13H24/c1-3-4-12-5-7-13(8-6-12)9-11(2)10-13/h11-12H,3-10H2,1-2H3
InChIKeyZLRKTARSDNRVNQ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.39
Rot. Bonds2

About 2-methyl-7-propylspiro[3.5]nonane

2-methyl-7-propylspiro[3.5]nonane (PubChem CID 149299427) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-methyl-7-propylspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-propylspiro[3.5]nonane
PubChem CID149299427
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-methyl-7-propylspiro[3.5]nonane
SMILESCCCC1CCC2(CC1)CC(C)C2
InChIInChI=1S/C13H24/c1-3-4-12-5-7-13(8-6-12)9-11(2)10-13/h11-12H,3-10H2,1-2H3
InChIKeyZLRKTARSDNRVNQ-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Diethylcyclohexane
CID 14910
1-Ethyl-4-methylcyclohexane
CID 19503
1-Methyl-1-ethylcyclohexane
CID 35411
tert-Butylcyclohexane
CID 18508
1,1,4-Trimethylcyclohexane
CID 35365
1,4-Di-tert-butylcyclohexane
CID 138351
1-Methyl-1-(1-methylethyl)cyclohexane
CID 519284
1-Ethyl-1,3-dimethylcyclohexane
CID 549959
1,1-Diethylcyclohexane
CID 12644944
Spiro(3.5)nonane
CID 12651160
Ochtodane skeleton
CID 17985127
1-tert-Butyl-4-methylcyclohexane
CID 232462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propylspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-propylspiro[3.5]nonane (CID 149299427) is 2-methyl-7-propylspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-propylspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-propylspiro[3.5]nonane is CCCC1CCC2(CC1)CC(C)C2.
What is the InChIKey of 2-methyl-7-propylspiro[3.5]nonane?
The InChIKey is ZLRKTARSDNRVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-4-12-5-7-13(8-6-12)9-11(2)10-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-methyl-7-propylspiro[3.5]nonane?
2-methyl-7-propylspiro[3.5]nonane has a molecular weight of 180.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propylspiro[3.5]nonane is sourced from PubChem (CID 149299427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).