(1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol

C11H14O — CID 11228972

IUPAC(1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
SMILESO[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3C[C@@H]2[C@H]5[C@@H]14
InChIInChI=1S/C11H14O/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-12H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10+,11-/m1/s1
InChIKeyHPPCKQCWRBPJIB-UCBWFNGWSA-N
MW162.23 g/mol
LogP1.13
Rot. Bonds

About (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol

(1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol (PubChem CID 11228972) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol.

Molecular Properties

Compound Name(1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
PubChem CID11228972
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol
SMILESO[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3C[C@@H]2[C@H]5[C@@H]14
InChIInChI=1S/C11H14O/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-12H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10+,11-/m1/s1
InChIKeyHPPCKQCWRBPJIB-UCBWFNGWSA-N
XLogP1.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The IUPAC name of (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol (CID 11228972) is (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol.
What is the SMILES notation for (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The canonical SMILES for (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol is O[C@@H]1[C@H]2[C@@H]3C[C@@H]4[C@H]5[C@@H]3C[C@@H]2[C@H]5[C@@H]14.
What is the InChIKey of (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
The InChIKey is HPPCKQCWRBPJIB-UCBWFNGWSA-N. The full InChI is InChI=1S/C11H14O/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11/h3-12H,1-2H2/t3-,4-,5-,6+,7-,8+,9-,10+,11-/m1/s1.
What are the key properties of (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol?
(1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol has a molecular weight of 162.23 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,5R,6R,7S,8R,9S,10R)-pentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-ol is sourced from PubChem (CID 11228972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).