(1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane

C10H18O — CID 6429145

IUPAC(1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)[C@H]1CC[C@@]2(C)OC2C1
InChIInChI=1S/C10H18O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h7-9H,4-6H2,1-3H3/t8-,9?,10+/m0/s1
InChIKeyWSHVHJSDSVPPIV-DJBFQZMMSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds1

About (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane

(1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 6429145) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID6429145
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESCC(C)[C@H]1CC[C@@]2(C)OC2C1
InChIInChI=1S/C10H18O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h7-9H,4-6H2,1-3H3/t8-,9?,10+/m0/s1
InChIKeyWSHVHJSDSVPPIV-DJBFQZMMSA-N
XLogP2.60
TPSA12.53 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

Computed Properties (RDKit)

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

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Related Compounds

Limonene diepoxide
CID 232703
alpha-Pinene oxide
CID 91508
Menthyl methyl ether, (-)-
CID 228343
5,8,8-Trimethyl-3-oxatricyclo(5.1.0.02,4)octane
CID 119627
3-Oxatricyclo(4.1.1.0(sup 2,4))octane, 2,7,7-trimethyl-, d-
CID 84531
(1R-(1alpha,2beta,4beta,6alpha))-2,2,7-trimethyl-3-oxatricyclo(4.1.1.02,4)octane
CID 88303
1-Menthyl methyl ether
CID 102648
3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane
CID 89467
2-Methyl-5-(propan-2-yl)-7-oxabicyclo(4.1.0)heptane
CID 22130
6,8-Epoxy-p-menthane
CID 14021140
(1s,3s,5r,7r)-3,8,8-Trimethyl-4-oxatricyclo[5.1.0.03,5]octane
CID 101923
p-Menth-1-ene oxide
CID 524011

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane (CID 6429145) is (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane is CC(C)[C@H]1CC[C@@]2(C)OC2C1.
What is the InChIKey of (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is WSHVHJSDSVPPIV-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h7-9H,4-6H2,1-3H3/t8-,9?,10+/m0/s1.
What are the key properties of (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane?
(1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]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 (1R,4S)-1-methyl-4-propan-2-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 6429145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).