1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol

C14H26O — CID 138736701

IUPAC1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol
SMILESCC(C)C12CCC(C(C)C)(CC1)C(O)C2
InChIInChI=1S/C14H26O/c1-10(2)13-5-7-14(8-6-13,11(3)4)12(15)9-13/h10-12,15H,5-9H2,1-4H3
InChIKeyZVMZYRYEBSDYGT-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.61
Rot. Bonds2

About 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol

1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol (PubChem CID 138736701) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol
PubChem CID138736701
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol
SMILESCC(C)C12CCC(C(C)C)(CC1)C(O)C2
InChIInChI=1S/C14H26O/c1-10(2)13-5-7-14(8-6-13,11(3)4)12(15)9-13/h10-12,15H,5-9H2,1-4H3
InChIKeyZVMZYRYEBSDYGT-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol?
The IUPAC name of 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol (CID 138736701) is 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol is CC(C)C12CCC(C(C)C)(CC1)C(O)C2.
What is the InChIKey of 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol?
The InChIKey is ZVMZYRYEBSDYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-10(2)13-5-7-14(8-6-13,11(3)4)12(15)9-13/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol?
1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol has a molecular weight of 210.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)bicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 138736701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).