(1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane

C10H18O — CID 98172812

IUPAC(1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane
SMILESCO[C@@H]1CCC[C@@H]2[C@@H](C)[C@@]21C
InChIInChI=1S/C10H18O/c1-7-8-5-4-6-9(11-3)10(7,8)2/h7-9H,4-6H2,1-3H3/t7-,8-,9-,10+/m1/s1
InChIKeyOFORFRANHRGUFV-KYXWUPHJSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds1

About (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane

(1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane (PubChem CID 98172812) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane
PubChem CID98172812
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane
SMILESCO[C@@H]1CCC[C@@H]2[C@@H](C)[C@@]21C
InChIInChI=1S/C10H18O/c1-7-8-5-4-6-9(11-3)10(7,8)2/h7-9H,4-6H2,1-3H3/t7-,8-,9-,10+/m1/s1
InChIKeyOFORFRANHRGUFV-KYXWUPHJSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59938882
cis-(1S,2S)-1-bromo-2-methoxy-1-methylcyclopentane
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cis-(1R,2R)-1-bromo-2-methoxy-1-methylcyclopentane
CID 130883538
2,3-dimethyltricyclo[4.3.0.02,5]nonane
CID 90794908
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
[2-[(1R,2R)-2-methoxy-1-methylcyclohexyl]cyclohexyl]-methylidenephosphane
CID 146244314
2-methoxycyclohexane-1,1-diamine
CID 22418278
2-methoxy-1,1-dimethylcyclobutane
CID 58806257
2-methoxy-1,1,4-trimethylcyclohexane
CID 70179049
1,6-dimethylbicyclo[3.1.0]hexane;methane
CID 173302897
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
(1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane
CID 125035268

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane?
The IUPAC name of (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane (CID 98172812) is (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane?
The canonical SMILES for (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane is CO[C@@H]1CCC[C@@H]2[C@@H](C)[C@@]21C.
What is the InChIKey of (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane?
The InChIKey is OFORFRANHRGUFV-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H18O/c1-7-8-5-4-6-9(11-3)10(7,8)2/h7-9H,4-6H2,1-3H3/t7-,8-,9-,10+/m1/s1.
What are the key properties of (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane?
(1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7R)-2-methoxy-1,7-dimethylbicyclo[4.1.0]heptane is sourced from PubChem (CID 98172812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).