1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol

C15H24O5 — CID 85223180

IUPAC1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol
SMILESCC1(C)CC2C(O)C3(O)COC4(O)C(O)C(C)(C2C1)C34
InChIInChI=1S/C15H24O5/c1-12(2)4-7-8(5-12)13(3)10-14(18,9(7)16)6-20-15(10,19)11(13)17/h7-11,16-19H,4-6H2,1-3H3
InChIKeyFCXUXPOAEWAEQN-UHFFFAOYSA-N
MW284.35 g/mol
LogP-0.14
Rot. Bonds

About 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol

1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol (PubChem CID 85223180) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol.

Molecular Properties

Compound Name1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol
PubChem CID85223180
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol
SMILESCC1(C)CC2C(O)C3(O)COC4(O)C(O)C(C)(C2C1)C34
InChIInChI=1S/C15H24O5/c1-12(2)4-7-8(5-12)13(3)10-14(18,9(7)16)6-20-15(10,19)11(13)17/h7-11,16-19H,4-6H2,1-3H3
InChIKeyFCXUXPOAEWAEQN-UHFFFAOYSA-N
XLogP-0.14
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol with MolForge

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Related Compounds

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CID 163009179
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CID 10754379
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CID 46934149
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CID 163075025
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3-hydroxy-5,5-dimethyloxan-2-one
CID 70489948
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CID 138989886
azane;1-(3,3-dimethyl-6-bicyclo[3.1.0]hexanyl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol?
The IUPAC name of 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol (CID 85223180) is 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol.
What is the SMILES notation for 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol?
The canonical SMILES for 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol is CC1(C)CC2C(O)C3(O)COC4(O)C(O)C(C)(C2C1)C34.
What is the InChIKey of 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol?
The InChIKey is FCXUXPOAEWAEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-12(2)4-7-8(5-12)13(3)10-14(18,9(7)16)6-20-15(10,19)11(13)17/h7-11,16-19H,4-6H2,1-3H3.
What are the key properties of 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol?
1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol has a molecular weight of 284.35 g/mol, XLogP of -0.14, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trimethyl-10-oxatetracyclo[6.4.1.02,6.011,13]tridecane-7,8,11,12-tetrol is sourced from PubChem (CID 85223180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).