(1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane

C16H26 — CID 143363592

IUPAC(1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane
SMILESCC[C@H](C)C[C@H]1CC[C@H]1[C@@]12CC[C@H]3C[C@@]31C2
InChIInChI=1S/C16H26/c1-3-11(2)8-12-4-5-14(12)15-7-6-13-9-16(13,15)10-15/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14+,15-,16+/m0/s1
InChIKeyCEXTYLRAWQWBSV-XBORSJSESA-N
MW218.38 g/mol
LogP4.64
Rot. Bonds4

About (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane

(1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane (PubChem CID 143363592) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane.

Molecular Properties

Compound Name(1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane
PubChem CID143363592
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name(1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane
SMILESCC[C@H](C)C[C@H]1CC[C@H]1[C@@]12CC[C@H]3C[C@@]31C2
InChIInChI=1S/C16H26/c1-3-11(2)8-12-4-5-14(12)15-7-6-13-9-16(13,15)10-15/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14+,15-,16+/m0/s1
InChIKeyCEXTYLRAWQWBSV-XBORSJSESA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylbutyl)-2-propylcyclobutane
CID 90731668
1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
1-ethyl-2-(2-methylbutyl)cyclopentane
CID 144979095
4-ethyl-1-(3-methylpentyl)bicyclo[3.1.0]hexane
CID 123376807
2-(2-methylbutyl)-7-oxabicyclo[4.1.0]heptane
CID 131972311
1-(2-methylbutyl)-2-propylcyclopropane
CID 90912055
ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane
CID 144507767
N-methyl-1-[2-(2-methylbutyl)cyclohexyl]methanamine
CID 81027427
(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
CID 175625697
1-pentan-3-ylbicyclo[2.1.0]pentane
CID 123671929
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
1-chloro-4-methyl-2-(2-methylbutyl)cyclohexane
CID 63460977

Frequently Asked Questions

What is the IUPAC name of (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane?
The IUPAC name of (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane (CID 143363592) is (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane.
What is the SMILES notation for (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane?
The canonical SMILES for (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane is CC[C@H](C)C[C@H]1CC[C@H]1[C@@]12CC[C@H]3C[C@@]31C2.
What is the InChIKey of (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane?
The InChIKey is CEXTYLRAWQWBSV-XBORSJSESA-N. The full InChI is InChI=1S/C16H26/c1-3-11(2)8-12-4-5-14(12)15-7-6-13-9-16(13,15)10-15/h11-14H,3-10H2,1-2H3/t11-,12+,13-,14+,15-,16+/m0/s1.
What are the key properties of (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane?
(1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane has a molecular weight of 218.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6S)-3-[(1R,2R)-2-[(2S)-2-methylbutyl]cyclobutyl]tricyclo[4.1.0.01,3]heptane is sourced from PubChem (CID 143363592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).