tetracyclo[5.1.0.02,4.03,5]octane

C8H10 — CID 12871558

IUPACtetracyclo[5.1.0.02,4.03,5]octane
SMILESC1C2CC3C4C(C12)C34
InChIInChI=1S/C8H10/c1-3-2-5-7-6(4(1)3)8(5)7/h3-8H,1-2H2
InChIKeyHUSGFIAKPIKLBZ-UHFFFAOYSA-N
MW106.17 g/mol
LogP1.52
Rot. Bonds

About tetracyclo[5.1.0.02,4.03,5]octane

tetracyclo[5.1.0.02,4.03,5]octane (PubChem CID 12871558) has the molecular formula C8H10 and a molecular weight of 106.17 g/mol. Its IUPAC name is tetracyclo[5.1.0.02,4.03,5]octane.

Molecular Properties

Compound Nametetracyclo[5.1.0.02,4.03,5]octane
PubChem CID12871558
Molecular FormulaC8H10
Molecular Weight106.17 g/mol
Exact Mass106.08
IUPAC Nametetracyclo[5.1.0.02,4.03,5]octane
SMILESC1C2CC3C4C(C12)C34
InChIInChI=1S/C8H10/c1-3-2-5-7-6(4(1)3)8(5)7/h3-8H,1-2H2
InChIKeyHUSGFIAKPIKLBZ-UHFFFAOYSA-N
XLogP1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Tricyclo(3.2.2.02,4)nonane
CID 136092
Tricyclo(5.1.0.02,4)octane, anti
CID 142798
Bicyclo(4.1.0)heptane, 3-cyclopropyl-
CID 548827
Tetracyclo(6.1.0.02,4.05,7)nonane (1alpha,2alpha,4alpha,5beta,7beta,8alpha)-
CID 142213
(2S,4R)-tricyclo[3.2.2.02,4]nonane
CID 638059
Methanodecalin
CID 12729281
Octabisvalene
CID 14087126
Decahydrodimethanonaphthalene
CID 18359650
Tricyclo[4.3.1.0~2,4~]decane
CID 53439165
Tricyclo[3.3.1.02,8]nonane
CID 85783993
1a,2,2a,3,4,5,6,6a,7,7a-decahydro-1H-cyclopropa[b]naphthalene
CID 90786888
Pentacyclo(3.3.3.02,4.06,8.09.11)undecane, stereoisomer
CID 144432

Frequently Asked Questions

What is the IUPAC name of tetracyclo[5.1.0.02,4.03,5]octane?
The IUPAC name of tetracyclo[5.1.0.02,4.03,5]octane (CID 12871558) is tetracyclo[5.1.0.02,4.03,5]octane.
What is the SMILES notation for tetracyclo[5.1.0.02,4.03,5]octane?
The canonical SMILES for tetracyclo[5.1.0.02,4.03,5]octane is C1C2CC3C4C(C12)C34.
What is the InChIKey of tetracyclo[5.1.0.02,4.03,5]octane?
The InChIKey is HUSGFIAKPIKLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10/c1-3-2-5-7-6(4(1)3)8(5)7/h3-8H,1-2H2.
What are the key properties of tetracyclo[5.1.0.02,4.03,5]octane?
tetracyclo[5.1.0.02,4.03,5]octane has a molecular weight of 106.17 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[5.1.0.02,4.03,5]octane is sourced from PubChem (CID 12871558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).