(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane

C11H20O — CID 59093744

IUPAC(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
SMILESCOC1CC2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3/t8?,9?,11-/m1/s1
InChIKeyZRHVOKYSOWTPIG-NWGYLPEXSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds1

About (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane

(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane (PubChem CID 59093744) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
PubChem CID59093744
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
SMILESCOC1CC2CC[C@@]1(C)C2(C)C
InChIInChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3/t8?,9?,11-/m1/s1
InChIKeyZRHVOKYSOWTPIG-NWGYLPEXSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] formate
CID 13428328
dimethyl-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-trimethylsilylsilane
CID 554472
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxyboronic acid
CID 175508536
methoxymethyl-bis[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]silane
CID 57356787
(1S,2S,4R)-1,7,7-trimethyl-2-[4-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenoxy]bicyclo[2.2.1]heptane
CID 6581459
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 66836214
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen carbonate
CID 137480256
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 6950273
(1S,2S,4S)-1,7,7-trimethyl-2-[4-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]phenoxy]bicyclo[2.2.1]heptane
CID 99978546

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane (CID 59093744) is (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane is COC1CC2CC[C@@]1(C)C2(C)C.
What is the InChIKey of (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane?
The InChIKey is ZRHVOKYSOWTPIG-NWGYLPEXSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)8-5-6-11(10,3)9(7-8)12-4/h8-9H,5-7H2,1-4H3/t8?,9?,11-/m1/s1.
What are the key properties of (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane?
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane has a molecular weight of 168.28 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 59093744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).