1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane

C20H34 — CID 143295904

IUPAC1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
SMILESCC(C)C12CCCC(C3CCCC4(C(C)C)CC34)C1C2
InChIInChI=1S/C20H34/c1-13(2)19-9-5-7-15(17(19)11-19)16-8-6-10-20(14(3)4)12-18(16)20/h13-18H,5-12H2,1-4H3
InChIKeyGSPAMDUDWOVBJL-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.91
Rot. Bonds3

About 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane

1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane (PubChem CID 143295904) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
PubChem CID143295904
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane
SMILESCC(C)C12CCCC(C3CCCC4(C(C)C)CC34)C1C2
InChIInChI=1S/C20H34/c1-13(2)19-9-5-7-15(17(19)11-19)16-8-6-10-20(14(3)4)12-18(16)20/h13-18H,5-12H2,1-4H3
InChIKeyGSPAMDUDWOVBJL-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,5S)-1-propan-2-ylbicyclo[3.1.0]hexane
CID 101415257
(1R,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CID 11983968
1-propan-2-yl-3-(trifluoromethyl)bicyclo[2.2.0]hexane
CID 166820569
(3aS,6aR)-6a-propan-2-yl-2,3,3a,6-tetrahydro-1H-pentalene
CID 97302755
(4aR,7aR)-1-methyl-4a-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine
CID 176727365
1-propan-2-ylbicyclo[1.1.0]butane
CID 21022524
(1R,3R,4R)-3-fluoro-1-propan-2-ylbicyclo[2.1.0]pentane
CID 166500332
3-methyl-3-propan-2-ylcyclohexan-1-amine
CID 19888682
molecular hydrogen;(1S)-1-propan-2-ylbicyclo[2.1.0]pentane;hydrofluoride
CID 157031643
1-methyl-3-(4-methyl-1-propan-2-ylcyclohexyl)-1-propan-2-ylcyclohexane
CID 173110598
13-propan-2-yl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
CID 172540570
2-methyl-4-(5-propan-2-yl-2-bicyclo[3.1.0]hexanyl)but-2-enal
CID 177163973

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
The IUPAC name of 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane (CID 143295904) is 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane.
What is the SMILES notation for 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
The canonical SMILES for 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane is CC(C)C12CCCC(C3CCCC4(C(C)C)CC34)C1C2.
What is the InChIKey of 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
The InChIKey is GSPAMDUDWOVBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-13(2)19-9-5-7-15(17(19)11-19)16-8-6-10-20(14(3)4)12-18(16)20/h13-18H,5-12H2,1-4H3.
What are the key properties of 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane?
1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane has a molecular weight of 274.49 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(6-propan-2-yl-2-bicyclo[4.1.0]heptanyl)bicyclo[4.1.0]heptane is sourced from PubChem (CID 143295904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).