3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane

C18H34O — CID 138627423

IUPAC3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane
SMILESCOCC1C2CCC(CC1C(C)(C)C)C2C(C)(C)C
InChIInChI=1S/C18H34O/c1-17(2,3)15-10-12-8-9-13(14(15)11-19-7)16(12)18(4,5)6/h12-16H,8-11H2,1-7H3
InChIKeyPCAXAQINKYVCHR-UHFFFAOYSA-N
MW266.47 g/mol
LogP5.00
Rot. Bonds2

About 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane

3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane (PubChem CID 138627423) has the molecular formula C18H34O and a molecular weight of 266.47 g/mol. Its IUPAC name is 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane.

Molecular Properties

Compound Name3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane
PubChem CID138627423
Molecular FormulaC18H34O
Molecular Weight266.47 g/mol
Exact Mass266.26
IUPAC Name3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane
SMILESCOCC1C2CCC(CC1C(C)(C)C)C2C(C)(C)C
InChIInChI=1S/C18H34O/c1-17(2,3)15-10-12-8-9-13(14(15)11-19-7)16(12)18(4,5)6/h12-16H,8-11H2,1-7H3
InChIKeyPCAXAQINKYVCHR-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
(2R,3R)-3-tert-butylbicyclo[2.2.1]heptan-2-ol
CID 171582038
6-(methoxymethyl)bicyclo[3.1.0]hexane
CID 147202482
9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 59748363
2,7-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxycyclohexyl)cycloheptan-1-ol
CID 123258751
1-methoxy-2-(methoxymethyl)-3-(2-methylbutan-2-yl)cyclopropane
CID 54293100
(1S,5R)-6-tert-butylbicyclo[3.1.1]heptane
CID 159774556
(2R)-2-tert-butylbicyclo[2.2.2]octane
CID 153289737
5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
CID 59748219
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 130145119
(3aR,6aS)-5-hydroxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22828472
2-tert-butylbicyclo[3.2.1]octane
CID 21352041

Frequently Asked Questions

What is the IUPAC name of 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane?
The IUPAC name of 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane (CID 138627423) is 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane.
What is the SMILES notation for 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane?
The canonical SMILES for 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane is COCC1C2CCC(CC1C(C)(C)C)C2C(C)(C)C.
What is the InChIKey of 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane?
The InChIKey is PCAXAQINKYVCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O/c1-17(2,3)15-10-12-8-9-13(14(15)11-19-7)16(12)18(4,5)6/h12-16H,8-11H2,1-7H3.
What are the key properties of 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane?
3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane has a molecular weight of 266.47 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-ditert-butyl-2-(methoxymethyl)bicyclo[3.2.1]octane is sourced from PubChem (CID 138627423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).