spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]

C19H28 — CID 58675403

IUPACspiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]
SMILESC1CC2(C1)C1CC3CCC34CC3CCC(CC34)C2C1
InChIInChI=1S/C19H28/c1-5-18(6-1)15-9-14-4-7-19(14)11-13-3-2-12(8-16(13)19)17(18)10-15/h12-17H,1-11H2
InChIKeyOYFLFCYYMDZZQU-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.03
Rot. Bonds

About spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]

spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane] (PubChem CID 58675403) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane].

Molecular Properties

Compound Namespiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]
PubChem CID58675403
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Namespiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]
SMILESC1CC2(C1)C1CC3CCC34CC3CCC(CC34)C2C1
InChIInChI=1S/C19H28/c1-5-18(6-1)15-9-14-4-7-19(14)11-13-3-2-12(8-16(13)19)17(18)10-15/h12-17H,1-11H2
InChIKeyOYFLFCYYMDZZQU-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane] with MolForge

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Related Compounds

1-methyltricyclo[4.2.0.03,8]octane
CID 146747804
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylpyrrolidine
CID 54754682
1-spiro[bicyclo[2.2.1]heptane-3,1'-cyclobutane]-2-ylazetidine
CID 54754683
carbanide;1-(1-cyclopentylcyclobutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;zirconium(4+)
CID 162298132
spiro[bicyclo[1.1.1]pentane-2,1'-cyclopropane]
CID 123804812
(1R,1'R,2S,3S,4S)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-carboxamide
CID 164833596
(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane
CID 102285377
(1R,2R,3S,3'S,4S)-3'-methylspiro[bicyclo[2.2.1]heptane-3,1'-cyclohexane]-2-amine
CID 164833722
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
(1S,5R,7R)-tricyclo[5.3.1.01,5]undecan-11-ol
CID 130991380
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]
CID 123849579

Frequently Asked Questions

What is the IUPAC name of spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]?
The IUPAC name of spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane] (CID 58675403) is spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane].
What is the SMILES notation for spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]?
The canonical SMILES for spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane] is C1CC2(C1)C1CC3CCC34CC3CCC(CC34)C2C1.
What is the InChIKey of spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]?
The InChIKey is OYFLFCYYMDZZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28/c1-5-18(6-1)15-9-14-4-7-19(14)11-13-3-2-12(8-16(13)19)17(18)10-15/h12-17H,1-11H2.
What are the key properties of spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane]?
spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane] has a molecular weight of 256.43 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclobutane-1,7'-pentacyclo[7.4.2.16,8.01,4.012,14]hexadecane] is sourced from PubChem (CID 58675403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).