2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane

C19H36 — CID 171445187

IUPAC2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane
SMILESCC(C)(C)CC1CCC2(CC1)CC(CC(C)(C)C)C2
InChIInChI=1S/C19H36/c1-17(2,3)11-15-7-9-19(10-8-15)13-16(14-19)12-18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyJMXASVYYGXVEAW-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.45
Rot. Bonds2

About 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane

2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane (PubChem CID 171445187) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane.

Molecular Properties

Compound Name2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane
PubChem CID171445187
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane
SMILESCC(C)(C)CC1CCC2(CC1)CC(CC(C)(C)C)C2
InChIInChI=1S/C19H36/c1-17(2,3)11-15-7-9-19(10-8-15)13-16(14-19)12-18(4,5)6/h15-16H,7-14H2,1-6H3
InChIKeyJMXASVYYGXVEAW-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,2-dimethylpropyl)spiro[3.3]heptane
CID 140612166
3-(2,2-dimethylpropyl)spiro[5.5]undecane
CID 140695301
8-(2,2-dimethylpropyl)spiro[3.5]nonane
CID 140644547
2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 158091515
2,2-dimethylpropane;2,2-dimethylpropylcyclobutane
CID 167591215
2-methyl-7-propylspiro[3.5]nonane
CID 149299427
2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol
CID 122240288
tert-butylcyclobutane;tert-butylcyclopropane;2,2-dimethylpropylcyclopropane
CID 160715730
1,4-bis(2,2-dimethylpropyl)cyclohexane;2,2,7,7-tetramethyloctane
CID 160533603
8-ethyl-3-(methoxymethyl)spiro[4.4]nonane
CID 155331562
ethane;7-ethyl-2-methylspiro[3.5]nonane
CID 144515680
3-(2,2-dimethylpropyl)-1-methylcyclobutane-1-carbonitrile
CID 139409211

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane?
The IUPAC name of 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane (CID 171445187) is 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane.
What is the SMILES notation for 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane?
The canonical SMILES for 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane is CC(C)(C)CC1CCC2(CC1)CC(CC(C)(C)C)C2.
What is the InChIKey of 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane?
The InChIKey is JMXASVYYGXVEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-17(2,3)11-15-7-9-19(10-8-15)13-16(14-19)12-18(4,5)6/h15-16H,7-14H2,1-6H3.
What are the key properties of 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane?
2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane has a molecular weight of 264.50 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(2,2-dimethylpropyl)spiro[3.5]nonane is sourced from PubChem (CID 171445187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).