pentacyclo[10.8.0.02,11.06,17.07,16]icosane

C20H32 — CID 101138772

IUPACpentacyclo[10.8.0.02,11.06,17.07,16]icosane
SMILESC1CC2C3CCCC4C(C1)C1CCCC2C3CCCC41
InChIInChI=1S/C20H32/c1-5-13-15-7-2-8-16-14(6-1)18-10-3-9-17(13)19(15)11-4-12-20(16)18/h13-20H,1-12H2
InChIKeySHYUKFAMVXHXOH-UHFFFAOYSA-N
MW272.48 g/mol
LogP5.67
Rot. Bonds

About pentacyclo[10.8.0.02,11.06,17.07,16]icosane

pentacyclo[10.8.0.02,11.06,17.07,16]icosane (PubChem CID 101138772) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is pentacyclo[10.8.0.02,11.06,17.07,16]icosane.

Molecular Properties

Compound Namepentacyclo[10.8.0.02,11.06,17.07,16]icosane
PubChem CID101138772
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Namepentacyclo[10.8.0.02,11.06,17.07,16]icosane
SMILESC1CC2C3CCCC4C(C1)C1CCCC2C3CCCC41
InChIInChI=1S/C20H32/c1-5-13-15-7-2-8-16-14(6-1)18-10-3-9-17(13)19(15)11-4-12-20(16)18/h13-20H,1-12H2
InChIKeySHYUKFAMVXHXOH-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
tricyclo[5.5.0.02,6]dodecane
CID 578151
tricyclo[5.4.0.08,11]undecane
CID 176586412
tricyclo[5.2.1.02,6]decan-10-ol
CID 578081
tricyclo[5.2.1.02,6]decane-10-thiol
CID 89269654
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
(7S,8S)-tetracyclo[5.4.0.02,6.08,11]undecane
CID 163896911
(8S,9R,13S)-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 145133460
(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol
CID 22814734
nonacyclo[20.6.2.02,6.07,27.010,26.013,25.014,18.019,24.023,28]triacontane
CID 91087023
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089

Frequently Asked Questions

What is the IUPAC name of pentacyclo[10.8.0.02,11.06,17.07,16]icosane?
The IUPAC name of pentacyclo[10.8.0.02,11.06,17.07,16]icosane (CID 101138772) is pentacyclo[10.8.0.02,11.06,17.07,16]icosane.
What is the SMILES notation for pentacyclo[10.8.0.02,11.06,17.07,16]icosane?
The canonical SMILES for pentacyclo[10.8.0.02,11.06,17.07,16]icosane is C1CC2C3CCCC4C(C1)C1CCCC2C3CCCC41.
What is the InChIKey of pentacyclo[10.8.0.02,11.06,17.07,16]icosane?
The InChIKey is SHYUKFAMVXHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-5-13-15-7-2-8-16-14(6-1)18-10-3-9-17(13)19(15)11-4-12-20(16)18/h13-20H,1-12H2.
What are the key properties of pentacyclo[10.8.0.02,11.06,17.07,16]icosane?
pentacyclo[10.8.0.02,11.06,17.07,16]icosane has a molecular weight of 272.48 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[10.8.0.02,11.06,17.07,16]icosane is sourced from PubChem (CID 101138772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).