(1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]

C15H22O — CID 154601688

IUPAC(1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]
SMILESC=C(C)[C@H]1CCC(=C)[C@@]2(C1)C[C@@H]1O[C@@H]1[C@@H]2C
InChIInChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15(7-12)8-13-14(16-13)11(15)4/h11-14H,1,3,5-8H2,2,4H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyZKPBXQUWZYDRPB-BTFPBAQTSA-N
MW218.34 g/mol
LogP3.71
Rot. Bonds1

About (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]

(1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane] (PubChem CID 154601688) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane].

Molecular Properties

Compound Name(1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]
PubChem CID154601688
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]
SMILESC=C(C)[C@H]1CCC(=C)[C@@]2(C1)C[C@@H]1O[C@@H]1[C@@H]2C
InChIInChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15(7-12)8-13-14(16-13)11(15)4/h11-14H,1,3,5-8H2,2,4H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyZKPBXQUWZYDRPB-BTFPBAQTSA-N
XLogP3.71
TPSA12.53 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 ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]?
The IUPAC name of (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane] (CID 154601688) is (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane].
What is the SMILES notation for (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]?
The canonical SMILES for (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane] is C=C(C)[C@H]1CCC(=C)[C@@]2(C1)C[C@@H]1O[C@@H]1[C@@H]2C.
What is the InChIKey of (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]?
The InChIKey is ZKPBXQUWZYDRPB-BTFPBAQTSA-N. The full InChI is InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15(7-12)8-13-14(16-13)11(15)4/h11-14H,1,3,5-8H2,2,4H3/t11-,12-,13-,14+,15+/m0/s1.
What are the key properties of (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane]?
(1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane] has a molecular weight of 218.34 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,5S,5'S)-2-methyl-2'-methylidene-5'-prop-1-en-2-ylspiro[6-oxabicyclo[3.1.0]hexane-3,1'-cyclohexane] is sourced from PubChem (CID 154601688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).