tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane

C20H32 — CID 144554532

IUPACtricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane
SMILESC1CC2CC3CC1C2C3.C1CC2CCC3CCC2(C1)C3
InChIInChI=1S/C11H18.C9H14/c1-2-10-4-3-9-5-7-11(10,6-1)8-9;1-2-8-4-6-3-7(1)9(8)5-6/h9-10H,1-8H2;6-9H,1-5H2
InChIKeyPPDVSNSQGFFQNS-UHFFFAOYSA-N
MW272.48 g/mol
LogP5.81
Rot. Bonds

About tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane

tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane (PubChem CID 144554532) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane.

Molecular Properties

Compound Nametricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane
PubChem CID144554532
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Nametricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane
SMILESC1CC2CC3CC1C2C3.C1CC2CCC3CCC2(C1)C3
InChIInChI=1S/C11H18.C9H14/c1-2-10-4-3-9-5-7-11(10,6-1)8-9;1-2-8-4-6-3-7(1)9(8)5-6/h9-10H,1-8H2;6-9H,1-5H2
InChIKeyPPDVSNSQGFFQNS-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
propane;tricyclo[4.2.1.03,7]nonane
CID 91449574
tetracyclo[6.2.1.02,5.04,6]undecane
CID 143721490
(1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol
CID 158185053
2-(2-bicyclo[2.2.1]heptanyl)-2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene
CID 123771301
cis-(1S,3R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexan-1-ol
CID 98363893
(1S,2R,4R)-4-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 18390289
(1R,2S,4S)-4-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexane-1,2-diol
CID 124771553
tricyclo[6.6.4.01,3]octadecan-5-amine
CID 155119532
6-(2-bicyclo[2.2.1]heptanyl)-2-methyl-2-sulfanylcyclohexan-1-one
CID 87189391
1-(2-bicyclo[4.3.2]undecanyl)bicyclo[3.3.3]undecane
CID 173063113

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane?
The IUPAC name of tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane (CID 144554532) is tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane.
What is the SMILES notation for tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane?
The canonical SMILES for tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane is C1CC2CC3CC1C2C3.C1CC2CCC3CCC2(C1)C3.
What is the InChIKey of tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane?
The InChIKey is PPDVSNSQGFFQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18.C9H14/c1-2-10-4-3-9-5-7-11(10,6-1)8-9;1-2-8-4-6-3-7(1)9(8)5-6/h9-10H,1-8H2;6-9H,1-5H2.
What are the key properties of tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane?
tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane has a molecular weight of 272.48 g/mol, XLogP of 5.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane is sourced from PubChem (CID 144554532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).