(1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]

C15H26O — CID 122365913

IUPAC(1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]
SMILESCC1CCC[C@@]12CC[C@@H]1C[C@@]2(C)OC1(C)C
InChIInChI=1S/C15H26O/c1-11-6-5-8-15(11)9-7-12-10-14(15,4)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11?,12-,14-,15-/m1/s1
InChIKeyGDJWQUONMCBBIO-ZJPTYJIISA-N
MW222.37 g/mol
LogP4.16
Rot. Bonds

About (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]

(1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane] (PubChem CID 122365913) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane].

Molecular Properties

Compound Name(1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]
PubChem CID122365913
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]
SMILESCC1CCC[C@@]12CC[C@@H]1C[C@@]2(C)OC1(C)C
InChIInChI=1S/C15H26O/c1-11-6-5-8-15(11)9-7-12-10-14(15,4)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11?,12-,14-,15-/m1/s1
InChIKeyGDJWQUONMCBBIO-ZJPTYJIISA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane] with MolForge

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Related Compounds

(5S)-6,10,10-trimethylspiro[4.5]decan-3-ol
CID 130927419
(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
CID 70887595
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 2758
(1R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
CID 5320214
(4S)-4-methylspiro[4.4]nonane
CID 148967518
(1,2-dimethylcyclopentyl)-trimethylsilane
CID 175194717
[(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol
CID 132551470
2,7-dimethyl-2-prop-1-en-2-ylspiro[2.4]heptane
CID 123651222
(1R,2S,6S,9S)-2,6-dimethyltricyclo[7.2.1.01,6]dodecan-8-one
CID 10536289
(3R,5R,6R,10S)-3-[(2S)-1-hydroxypropan-2-yl]-6,10-dimethylspiro[4.5]decan-10-ol
CID 11356890
(1S,2S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-2-carboxylic acid
CID 5321537
(5S)-1-methylbicyclo[3.2.0]heptane
CID 142053045

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]?
The IUPAC name of (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane] (CID 122365913) is (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane].
What is the SMILES notation for (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]?
The canonical SMILES for (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane] is CC1CCC[C@@]12CC[C@@H]1C[C@@]2(C)OC1(C)C.
What is the InChIKey of (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]?
The InChIKey is GDJWQUONMCBBIO-ZJPTYJIISA-N. The full InChI is InChI=1S/C15H26O/c1-11-6-5-8-15(11)9-7-12-10-14(15,4)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11?,12-,14-,15-/m1/s1.
What are the key properties of (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane]?
(1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane] has a molecular weight of 222.37 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-2',5,7,7-tetramethylspiro[6-oxabicyclo[3.2.1]octane-4,1'-cyclopentane] is sourced from PubChem (CID 122365913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).