(1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane

C15H22O — CID 162891904

IUPAC(1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane
SMILESC=C1CCC=C1[C@H]1[C@@H]2CC[C@@]1(C)OC2(C)C
InChIInChI=1S/C15H22O/c1-10-6-5-7-11(10)13-12-8-9-15(13,4)16-14(12,2)3/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15+/m0/s1
InChIKeyNHPDMJIPAMOTCH-KCQAQPDRSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds1

About (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane

(1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane (PubChem CID 162891904) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane
PubChem CID162891904
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane
SMILESC=C1CCC=C1[C@H]1[C@@H]2CC[C@@]1(C)OC2(C)C
InChIInChI=1S/C15H22O/c1-10-6-5-7-11(10)13-12-8-9-15(13,4)16-14(12,2)3/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15+/m0/s1
InChIKeyNHPDMJIPAMOTCH-KCQAQPDRSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane with MolForge

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Related Compounds

Lignorene
CID 134555475
(1S,2S,7R,9R)-7,9-dimethyl-4-propan-2-yl-8-oxatricyclo[5.4.0.02,9]undec-3-ene
CID 162937713
7-Ethenyl-1,3,3-trimethyl-2-oxabicyclo[2.2.1]heptane
CID 134839625
1,3,3-Trimethyl-7-(5-methylcyclopenta-1,4-dien-1-yl)-2-oxabicyclo[2.2. 1]heptane
CID 12152393
(1R,2R,7S,9S)-7,9-dimethyl-8-oxatricyclo[5.4.0.02,9]undec-3-ene
CID 10631175
Spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]
CID 23555997
(1R,4S,7R)-7-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-2-oxabicyclo[2.2.1]heptane
CID 57614699
(1S,4S,7R)-7-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-2-oxabicyclo[2.2.1]heptane
CID 89198751
(1S,4S,7R)-7-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl)-1,3,3-trimethyl-2-oxabicyclo[2.2.1]heptane
CID 91241895
(1R,4S,7S)-1,3,3-trimethyl-7-(5-methylcyclopenta-1,4-dien-1-yl)-2-oxabicyclo[2.2.1]heptane
CID 101349862
(1S,3S,4S,7R)-1,3,7-trimethyl-3-(4-methylpent-3-enyl)-2-oxabicyclo[2.2.1]heptane
CID 134552073
(4S,7R)-7-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,3-trimethyl-2-oxabicyclo[2.2.1]heptane
CID 140533520

Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane (CID 162891904) is (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane is C=C1CCC=C1[C@H]1[C@@H]2CC[C@@]1(C)OC2(C)C.
What is the InChIKey of (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane?
The InChIKey is NHPDMJIPAMOTCH-KCQAQPDRSA-N. The full InChI is InChI=1S/C15H22O/c1-10-6-5-7-11(10)13-12-8-9-15(13,4)16-14(12,2)3/h7,12-13H,1,5-6,8-9H2,2-4H3/t12-,13-,15+/m0/s1.
What are the key properties of (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane?
(1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane has a molecular weight of 218.34 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7R)-1,3,3-trimethyl-7-(5-methylidenecyclopenten-1-yl)-2-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 162891904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).