(2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane

C15H24O — CID 91750040

IUPAC(2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane
SMILESC=C1CCC2OC1C1C(C(C)C)CC[C@@]21C
InChIInChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11?,12?,13?,14?,15-/m0/s1
InChIKeyBITBXAWCPCNKKN-MWHZVNNOSA-N
MW220.36 g/mol
LogP3.79
Rot. Bonds1

About (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane

(2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane (PubChem CID 91750040) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane.

Molecular Properties

Compound Name(2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane
PubChem CID91750040
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane
SMILESC=C1CCC2OC1C1C(C(C)C)CC[C@@]21C
InChIInChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11?,12?,13?,14?,15-/m0/s1
InChIKeyBITBXAWCPCNKKN-MWHZVNNOSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane?
The IUPAC name of (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane (CID 91750040) is (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane.
What is the SMILES notation for (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane?
The canonical SMILES for (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane is C=C1CCC2OC1C1C(C(C)C)CC[C@@]21C.
What is the InChIKey of (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane?
The InChIKey is BITBXAWCPCNKKN-MWHZVNNOSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11?,12?,13?,14?,15-/m0/s1.
What are the key properties of (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane?
(2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane has a molecular weight of 220.36 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2-methyl-8-methylidene-5-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecane is sourced from PubChem (CID 91750040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).