(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane

C12H18 — CID 143721381

IUPAC(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane
SMILESC[C@@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H]43)[C@H]21
InChIInChI=1S/C12H18/c1-6-2-3-8-11(6)10-5-7-4-9(7)12(8)10/h6-12H,2-5H2,1H3/t6-,7+,8-,9+,10+,11+,12+/m1/s1
InChIKeyMDIZOAHVFVGUKE-CEDBYBORSA-N
MW162.28 g/mol
LogP2.93
Rot. Bonds

About (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane

(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane (PubChem CID 143721381) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane.

Molecular Properties

Compound Name(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane
PubChem CID143721381
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane
SMILESC[C@@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H]43)[C@H]21
InChIInChI=1S/C12H18/c1-6-2-3-8-11(6)10-5-7-4-9(7)12(8)10/h6-12H,2-5H2,1H3/t6-,7+,8-,9+,10+,11+,12+/m1/s1
InChIKeyMDIZOAHVFVGUKE-CEDBYBORSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane?
The IUPAC name of (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane (CID 143721381) is (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane.
What is the SMILES notation for (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane?
The canonical SMILES for (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane is C[C@@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H]43)[C@H]21.
What is the InChIKey of (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane?
The InChIKey is MDIZOAHVFVGUKE-CEDBYBORSA-N. The full InChI is InChI=1S/C12H18/c1-6-2-3-8-11(6)10-5-7-4-9(7)12(8)10/h6-12H,2-5H2,1H3/t6-,7+,8-,9+,10+,11+,12+/m1/s1.
What are the key properties of (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane?
(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane has a molecular weight of 162.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane is sourced from PubChem (CID 143721381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).