spiro[4.4]nonane

C27H48 — CID 90780660

IUPACspiro[4.4]nonane
SMILESC1CCC2(C1)CCCC2.C1CCC2(C1)CCCC2.C1CCC2(C1)CCCC2
InChIInChI=1S/3C9H16/c3*1-2-6-9(5-1)7-3-4-8-9/h3*1-8H2
InChIKeyRBTVRROINKUFFR-UHFFFAOYSA-N
MW372.68 g/mol
LogP9.36
Rot. Bonds

About spiro[4.4]nonane

spiro[4.4]nonane (PubChem CID 90780660) has the molecular formula C27H48 and a molecular weight of 372.68 g/mol. Its IUPAC name is spiro[4.4]nonane.

Molecular Properties

Compound Namespiro[4.4]nonane
PubChem CID90780660
Molecular FormulaC27H48
Molecular Weight372.68 g/mol
Exact Mass372.38
IUPAC Namespiro[4.4]nonane
SMILESC1CCC2(C1)CCCC2.C1CCC2(C1)CCCC2.C1CCC2(C1)CCCC2
InChIInChI=1S/3C9H16/c3*1-2-6-9(5-1)7-3-4-8-9/h3*1-8H2
InChIKeyRBTVRROINKUFFR-UHFFFAOYSA-N
XLogP9.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Trispiro[4.1.1.49.27.25]heptadecane
CID 101483794
(7R,9R)-tetraspiro[4.1.1.1.411.29.27.25]henicosane
CID 101483795
(7R,9S)-tetraspiro[4.1.1.1.411.29.27.25]henicosane
CID 101483798
Tricyclopentylmethylcyclopentane
CID 22929209
3-(Spiro[4.4]nonan-3-ylmethyl)spiro[4.4]nonane
CID 59341511
1-Cyclopentyl-1-(1-cyclopentylcyclopentyl)cyclopentane
CID 141469735
1,2,3,4,5,6-Hexacyclopentyl-1,2,3,4,5,6-hexaethylcyclohexadecane
CID 150042784
1,2,3,4,5,6-Hexacyclopentyl-1,2,3,4,5,6-hexamethylcyclohexadecane
CID 151667620
1,1-Dimethylcyclopentane;ethane;1-ethyl-1-methylcyclobutane;bis(1-ethyl-1-methylcyclopentane);methane;bis(1-methyl-1-propylcyclopentane)
CID 161386870
Methane;1-methyl-1-[4-(1-methylcyclopentyl)butyl]cyclopentane;1-methyl-1-[6-(1-methylcyclopentyl)hexyl]cyclopentane;1-methyl-1-[8-(1-methylcyclopentyl)octyl]cyclopentane;1-methyl-1-[5-(1-methylcyclopentyl)pentyl]cyclopentane
CID 167676272
[1,4,5-Tricyclopentyl-2-(cyclopentylmethyl)-3-(1,2-dicyclopentylethyl)pentan-2-yl]cyclopentane
CID 174098717
(7S,9S)-tetraspiro[4.1.1.1.411.29.27.25]henicosane
CID 101483796

Frequently Asked Questions

What is the IUPAC name of spiro[4.4]nonane?
The IUPAC name of spiro[4.4]nonane (CID 90780660) is spiro[4.4]nonane.
What is the SMILES notation for spiro[4.4]nonane?
The canonical SMILES for spiro[4.4]nonane is C1CCC2(C1)CCCC2.C1CCC2(C1)CCCC2.C1CCC2(C1)CCCC2.
What is the InChIKey of spiro[4.4]nonane?
The InChIKey is RBTVRROINKUFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H16/c3*1-2-6-9(5-1)7-3-4-8-9/h3*1-8H2.
What are the key properties of spiro[4.4]nonane?
spiro[4.4]nonane has a molecular weight of 372.68 g/mol, XLogP of 9.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4.4]nonane is sourced from PubChem (CID 90780660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).