pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane

C16H24 — CID 123331321

IUPACpentacyclo[8.2.1.11,3.14,6.17,9]hexadecane
SMILESC1CC23CC1C1CC(C1)C1CC(C1)C(C2)C3
InChIInChI=1S/C16H24/c1-2-16-7-10(1)11-3-12(4-11)13-5-14(6-13)15(8-16)9-16/h10-15H,1-9H2
InChIKeyLOVBWTWGYBQZDO-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.25
Rot. Bonds

About pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane

pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane (PubChem CID 123331321) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane.

Molecular Properties

Compound Namepentacyclo[8.2.1.11,3.14,6.17,9]hexadecane
PubChem CID123331321
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Namepentacyclo[8.2.1.11,3.14,6.17,9]hexadecane
SMILESC1CC23CC1C1CC(C1)C1CC(C1)C(C2)C3
InChIInChI=1S/C16H24/c1-2-16-7-10(1)11-3-12(4-11)13-5-14(6-13)15(8-16)9-16/h10-15H,1-9H2
InChIKeyLOVBWTWGYBQZDO-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 131865526
spiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,1'-cyclohexane]
CID 123272406
6-(4,4-difluorocyclohexyl)-2,2-difluorospiro[3.3]heptane
CID 178021651
7-(2-azaspiro[3.4]octan-6-yl)-2,5-diazaspiro[3.4]octane
CID 134443835
(3aR,6aS)-4'-tert-butylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,1'-cyclohexane]
CID 140778076
3-methyl-7-(8-methylspiro[3.5]nonan-2-yl)spiro[3.5]nonane
CID 123188037
2,7-dimethylspiro[3.4]octane
CID 142902956
3-spiro[4.6]undecan-9-yl-7,9-diazaspiro[4.6]undecane
CID 123835848
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084
(2R,6R)-tricyclo[4.2.1.12,5]decane
CID 134081586
10-cyclopropyl-3-azaspiro[5.5]undecane
CID 64623012
9-(4-ethenylcyclohexyl)-3,4-difluorospiro[5.5]undecane
CID 89276700

Frequently Asked Questions

What is the IUPAC name of pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane?
The IUPAC name of pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane (CID 123331321) is pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane.
What is the SMILES notation for pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane?
The canonical SMILES for pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane is C1CC23CC1C1CC(C1)C1CC(C1)C(C2)C3.
What is the InChIKey of pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane?
The InChIKey is LOVBWTWGYBQZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-2-16-7-10(1)11-3-12(4-11)13-5-14(6-13)15(8-16)9-16/h10-15H,1-9H2.
What are the key properties of pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane?
pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane has a molecular weight of 216.37 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[8.2.1.11,3.14,6.17,9]hexadecane is sourced from PubChem (CID 123331321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).