(1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane

C11H18 — CID 163751027

IUPAC(1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane
SMILESC[C@@H]1[C@@H]2CC3C[C@H](C)[C@]1(C)C32
InChIInChI=1S/C11H18/c1-6-4-8-5-9-7(2)11(6,3)10(8)9/h6-10H,4-5H2,1-3H3/t6-,7+,8?,9-,10?,11-/m0/s1
InChIKeyLPZCPBTUIHXCEX-ABIJVSLOSA-N
MW150.26 g/mol
LogP2.93
Rot. Bonds

About (1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane

(1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane (PubChem CID 163751027) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane.

Molecular Properties

Compound Name(1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane
PubChem CID163751027
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane
SMILESC[C@@H]1[C@@H]2CC3C[C@H](C)[C@]1(C)C32
InChIInChI=1S/C11H18/c1-6-4-8-5-9-7(2)11(6,3)10(8)9/h6-10H,4-5H2,1-3H3/t6-,7+,8?,9-,10?,11-/m0/s1
InChIKeyLPZCPBTUIHXCEX-ABIJVSLOSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,6-tetramethylbicyclo[2.2.0]hexane
CID 123570801
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
2-methylbicyclo[1.1.1]pentan-1-amine
CID 123370149
8,9,10,11,12-pentamethylpentacyclo[5.4.1.02,6.04,9.010,12]dodecane
CID 123730283
2,3-dimethyltricyclo[4.3.0.02,5]nonane
CID 90794908
9,10,11-trimethylpentacyclo[6.3.1.01,7.02,6.04,10]dodecane
CID 123902270
(1S,2S,3R,5S,6R,7S)-3-methyl-4-oxatetracyclo[4.2.1.02,5.03,7]nonane
CID 135048244
4,5-dimethyltetracyclo[3.3.0.01,3.02,7]octane
CID 123628540
3-methyltricyclo[3.2.0.02,7]heptan-3-amine
CID 131861725
2,3-dimethyltricyclo[2.1.0.02,5]pentane
CID 123959749
1,2,4,6-tetramethylspiro[2.3]hexane
CID 91567702
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane?
The IUPAC name of (1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane (CID 163751027) is (1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane.
What is the SMILES notation for (1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane?
The canonical SMILES for (1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane is C[C@@H]1[C@@H]2CC3C[C@H](C)[C@]1(C)C32.
What is the InChIKey of (1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane?
The InChIKey is LPZCPBTUIHXCEX-ABIJVSLOSA-N. The full InChI is InChI=1S/C11H18/c1-6-4-8-5-9-7(2)11(6,3)10(8)9/h6-10H,4-5H2,1-3H3/t6-,7+,8?,9-,10?,11-/m0/s1.
What are the key properties of (1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane?
(1S,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane has a molecular weight of 150.26 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,2R,3S,7S)-1,2,7-trimethyltricyclo[3.2.1.03,8]octane is sourced from PubChem (CID 163751027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).