bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane

C30H58 — CID 162048501

IUPACbicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane
SMILESC1C2CC1C2.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1
InChIInChI=1S/C7H14.C6H12.C5H8.C5H10.C4H8.C3H6/c1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-4-2-5(1)3-4;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h1-7H2;1-6H2;4-5H,1-3H2;1-5H2;1-4H2;1-3H2
InChIKeyYYFRJVVSNNRWAG-UHFFFAOYSA-N
MW418.79 g/mol
LogP11.17
Rot. Bonds

About bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane

bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane (PubChem CID 162048501) has the molecular formula C30H58 and a molecular weight of 418.79 g/mol. Its IUPAC name is bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane.

Molecular Properties

Compound Namebicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane
PubChem CID162048501
Molecular FormulaC30H58
Molecular Weight418.79 g/mol
Exact Mass418.45
IUPAC Namebicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane
SMILESC1C2CC1C2.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1
InChIInChI=1S/C7H14.C6H12.C5H8.C5H10.C4H8.C3H6/c1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-4-2-5(1)3-4;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h1-7H2;1-6H2;4-5H,1-3H2;1-5H2;1-4H2;1-3H2
InChIKeyYYFRJVVSNNRWAG-UHFFFAOYSA-N
XLogP11.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.79
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

adamantane;cycloheptane
CID 173136693
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CID 14399147
adamantane;hydrobromide
CID 68587587
adamantane;ruthenium(2+)
CID 175795757
adamantane;hydrate
CID 137498586
bicyclo[4.3.1]decane
CID 12592588
(1S,6R)-bicyclo[4.3.1]decane
CID 58154231
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;bicyclo[2.2.1]heptane;cycloheptane;methane
CID 142046247
azanium;adamantane;hydroxide
CID 139557020
adamantane;azane;trihydrochloride
CID 172754322
adamantane;ethane
CID 90892828

Frequently Asked Questions

What is the IUPAC name of bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane?
The IUPAC name of bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane (CID 162048501) is bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane.
What is the SMILES notation for bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane?
The canonical SMILES for bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane is C1C2CC1C2.C1CC1.C1CCC1.C1CCCC1.C1CCCCC1.C1CCCCCC1.
What is the InChIKey of bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane?
The InChIKey is YYFRJVVSNNRWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H12.C5H8.C5H10.C4H8.C3H6/c1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-4-2-5(1)3-4;1-2-4-5-3-1;1-2-4-3-1;1-2-3-1/h1-7H2;1-6H2;4-5H,1-3H2;1-5H2;1-4H2;1-3H2.
What are the key properties of bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane?
bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane has a molecular weight of 418.79 g/mol, XLogP of 11.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[1.1.1]pentane;cyclobutane;cycloheptane;cyclohexane;cyclopentane;cyclopropane is sourced from PubChem (CID 162048501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).