(2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane

C14H26O2 — CID 117060709

IUPAC(2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
SMILESCC(C)CO[C@H]1CC2(C(C)C)CCC1(C)O2
InChIInChI=1S/C14H26O2/c1-10(2)9-15-12-8-14(11(3)4)7-6-13(12,5)16-14/h10-12H,6-9H2,1-5H3/t12-,13?,14?/m0/s1
InChIKeyYVWIDZWUUNNJQY-HSBZDZAISA-N
MW226.36 g/mol
LogP3.40
Rot. Bonds4

About (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane

(2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane (PubChem CID 117060709) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
PubChem CID117060709
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
SMILESCC(C)CO[C@H]1CC2(C(C)C)CCC1(C)O2
InChIInChI=1S/C14H26O2/c1-10(2)9-15-12-8-14(11(3)4)7-6-13(12,5)16-14/h10-12H,6-9H2,1-5H3/t12-,13?,14?/m0/s1
InChIKeyYVWIDZWUUNNJQY-HSBZDZAISA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,4S)-1-methyl-4-propan-2-yl-2-prop-2-ynoxy-7-oxabicyclo[2.2.1]heptane
CID 88666984
methyl 2-[[(2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl]oxy]acetate
CID 117062096
(1S,2R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 145185480
(1R,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 98049728
(1R,2S,4S)-2-[(4-methoxyphenyl)methoxy]-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 70442191
(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl) 2-methylpropanoate
CID 171650402
(1R,2S,4S)-2-[(2,4-dichlorophenyl)methoxy]-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 70441584
(2R)-1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 130708375
1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane-2-thiol
CID 170568184
2-methyl-6-(2-methylpropoxy)-4-oxaspiro[2.3]hexane
CID 22887390
(1R,4S)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-prop-1-en-2-ylcyclohexa-1,3-diene
CID 162285363
(1-methyl-4-propan-2-yl-7-oxabicyclo[2.2.1]heptan-2-yl) N-benzyl-N-(4-methylphenyl)sulfonylcarbamate
CID 3355400

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane (CID 117060709) is (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane is CC(C)CO[C@H]1CC2(C(C)C)CCC1(C)O2.
What is the InChIKey of (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane?
The InChIKey is YVWIDZWUUNNJQY-HSBZDZAISA-N. The full InChI is InChI=1S/C14H26O2/c1-10(2)9-15-12-8-14(11(3)4)7-6-13(12,5)16-14/h10-12H,6-9H2,1-5H3/t12-,13?,14?/m0/s1.
What are the key properties of (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane?
(2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane has a molecular weight of 226.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-(2-methylpropoxy)-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 117060709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).