(3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol

C12H16O2 — CID 134970156

IUPAC(3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol
SMILESO[C@@]12CCC[C@]1(O)C1C3CC4C(C41)C32
InChIInChI=1S/C12H16O2/c13-11-2-1-3-12(11,14)10-6-4-5-7(8(5)10)9(6)11/h5-10,13-14H,1-4H2/t5?,6?,7?,8?,9?,10?,11-,12+
InChIKeyHRYVOAQUQYNXQB-YXIGKKBZSA-N
MW192.26 g/mol
LogP0.77
Rot. Bonds

About (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol

(3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol (PubChem CID 134970156) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol.

Molecular Properties

Compound Name(3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol
PubChem CID134970156
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol
SMILESO[C@@]12CCC[C@]1(O)C1C3CC4C(C41)C32
InChIInChI=1S/C12H16O2/c13-11-2-1-3-12(11,14)10-6-4-5-7(8(5)10)9(6)11/h5-10,13-14H,1-4H2/t5?,6?,7?,8?,9?,10?,11-,12+
InChIKeyHRYVOAQUQYNXQB-YXIGKKBZSA-N
XLogP0.77
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol?
The IUPAC name of (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol (CID 134970156) is (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol.
What is the SMILES notation for (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol?
The canonical SMILES for (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol is O[C@@]12CCC[C@]1(O)C1C3CC4C(C41)C32.
What is the InChIKey of (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol?
The InChIKey is HRYVOAQUQYNXQB-YXIGKKBZSA-N. The full InChI is InChI=1S/C12H16O2/c13-11-2-1-3-12(11,14)10-6-4-5-7(8(5)10)9(6)11/h5-10,13-14H,1-4H2/t5?,6?,7?,8?,9?,10?,11-,12+.
What are the key properties of (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol?
(3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol has a molecular weight of 192.26 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S)-pentacyclo[6.4.0.02,10.03,7.09,11]dodecane-3,7-diol is sourced from PubChem (CID 134970156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).