(2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one

C12H16O2 — CID 102514600

IUPAC(2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one
SMILESO=C1CCC2C3CCC4C[C@@H](O)C12C43
InChIInChI=1S/C12H16O2/c13-9-4-3-8-7-2-1-6-5-10(14)12(8,9)11(6)7/h6-8,10-11,14H,1-5H2/t6?,7?,8?,10-,11?,12?/m1/s1
InChIKeyGDRHWBOXWOLFAS-UQLWCHLRSA-N
MW192.26 g/mol
LogP1.37
Rot. Bonds

About (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one

(2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one (PubChem CID 102514600) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one.

Molecular Properties

Compound Name(2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one
PubChem CID102514600
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one
SMILESO=C1CCC2C3CCC4C[C@@H](O)C12C43
InChIInChI=1S/C12H16O2/c13-9-4-3-8-7-2-1-6-5-10(14)12(8,9)11(6)7/h6-8,10-11,14H,1-5H2/t6?,7?,8?,10-,11?,12?/m1/s1
InChIKeyGDRHWBOXWOLFAS-UQLWCHLRSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one?
The IUPAC name of (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one (CID 102514600) is (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one.
What is the SMILES notation for (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one?
The canonical SMILES for (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one is O=C1CCC2C3CCC4C[C@@H](O)C12C43.
What is the InChIKey of (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one?
The InChIKey is GDRHWBOXWOLFAS-UQLWCHLRSA-N. The full InChI is InChI=1S/C12H16O2/c13-9-4-3-8-7-2-1-6-5-10(14)12(8,9)11(6)7/h6-8,10-11,14H,1-5H2/t6?,7?,8?,10-,11?,12?/m1/s1.
What are the key properties of (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one?
(2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one has a molecular weight of 192.26 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,8S)-2-hydroxytetracyclo[5.4.1.01,8.04,12]dodecan-11-one is sourced from PubChem (CID 102514600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).