(1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane

C10H18O — CID 157009860

IUPAC(1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane
SMILESCC(C)C1CC[C@@]2(C)C[C@@H]1O2
InChIInChI=1S/C10H18O/c1-7(2)8-4-5-10(3)6-9(8)11-10/h7-9H,4-6H2,1-3H3/t8?,9-,10-/m0/s1
InChIKeySCBPMTMIWOKDGL-AGROOBSYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds1

About (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane

(1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane (PubChem CID 157009860) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane
PubChem CID157009860
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane
SMILESCC(C)C1CC[C@@]2(C)C[C@@H]1O2
InChIInChI=1S/C10H18O/c1-7(2)8-4-5-10(3)6-9(8)11-10/h7-9H,4-6H2,1-3H3/t8?,9-,10-/m0/s1
InChIKeySCBPMTMIWOKDGL-AGROOBSYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Menthyl methyl ether, (-)-
CID 228343
1-Menthyl methyl ether
CID 102648
Cyclohexane, 2-ethoxy-4-methyl-1-(1-methylethyl)-
CID 9794074
2-Oxabicyclo(2.2.2)octane, 3-butyl-1,5-dimethyl-
CID 20561545
(4R,5S,8R)-8-methyl-5-propan-2-yl-1-oxaspiro[3.5]nonane
CID 21590035
(1S,2R,4R)-2-Ethoxy-4-methyl-1-(1-methylethyl)cyclohexane
CID 11086237
7-tert-Butyl-1-oxaspiro[3.5]nonane
CID 12552527
7-Methyl-1-oxaspiro[3.5]nonane
CID 13122476
t-Butyl menthyl ether
CID 14157599
4-Methyl-1-(propan-2-yl)-2-propoxycyclohexane
CID 54499043
Menthyl butyl ether
CID 70867659
(1S)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane
CID 134896296

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane?
The IUPAC name of (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane (CID 157009860) is (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane.
What is the SMILES notation for (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane?
The canonical SMILES for (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane is CC(C)C1CC[C@@]2(C)C[C@@H]1O2.
What is the InChIKey of (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane?
The InChIKey is SCBPMTMIWOKDGL-AGROOBSYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)8-4-5-10(3)6-9(8)11-10/h7-9H,4-6H2,1-3H3/t8?,9-,10-/m0/s1.
What are the key properties of (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane?
(1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-methyl-4-propan-2-yl-6-oxabicyclo[3.1.1]heptane is sourced from PubChem (CID 157009860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).