(5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane

C8H10O — CID 88891756

IUPAC(5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane
SMILESCC12CC13C[C@H]2C1OC13
InChIInChI=1S/C8H10O/c1-7-3-8(7)2-4(7)5-6(8)9-5/h4-6H,2-3H2,1H3/t4-,5?,6?,7?,8?/m0/s1
InChIKeyGNSPUUHIDRLRNZ-DKBGPPMCSA-N
MW122.17 g/mol
LogP1.18
Rot. Bonds

About (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane

(5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane (PubChem CID 88891756) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane.

Molecular Properties

Compound Name(5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane
PubChem CID88891756
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane
SMILESCC12CC13C[C@H]2C1OC13
InChIInChI=1S/C8H10O/c1-7-3-8(7)2-4(7)5-6(8)9-5/h4-6H,2-3H2,1H3/t4-,5?,6?,7?,8?/m0/s1
InChIKeyGNSPUUHIDRLRNZ-DKBGPPMCSA-N
XLogP1.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane?
The IUPAC name of (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane (CID 88891756) is (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane.
What is the SMILES notation for (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane?
The canonical SMILES for (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane is CC12CC13C[C@H]2C1OC13.
What is the InChIKey of (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane?
The InChIKey is GNSPUUHIDRLRNZ-DKBGPPMCSA-N. The full InChI is InChI=1S/C8H10O/c1-7-3-8(7)2-4(7)5-6(8)9-5/h4-6H,2-3H2,1H3/t4-,5?,6?,7?,8?/m0/s1.
What are the key properties of (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane?
(5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane has a molecular weight of 122.17 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-methyl-3-oxatetracyclo[3.2.1.01,6.02,4]octane is sourced from PubChem (CID 88891756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).