(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol

C12H16O2 — CID 124807375

IUPAC(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
SMILESC[C@]1(O)[C@H]2[C@@H]3[C@@H]4[C@@H]2[C@H]2[C@H]1[C@H]3[C@H]4[C@@]2(C)O
InChIInChI=1S/C12H16O2/c1-11(13)7-3-4-5(7)10-9(11)6(3)8(4)12(10,2)14/h3-10,13-14H,1-2H3/t3-,4-,5-,6+,7+,8+,9+,10-,11-,12+/m1/s1
InChIKeyIJZYUZHMQPAATI-COZRNNPFSA-N
MW192.26 g/mol
LogP0.49
Rot. Bonds

About (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol

(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol (PubChem CID 124807375) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol.

Molecular Properties

Compound Name(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
PubChem CID124807375
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol
SMILESC[C@]1(O)[C@H]2[C@@H]3[C@@H]4[C@@H]2[C@H]2[C@H]1[C@H]3[C@H]4[C@@]2(C)O
InChIInChI=1S/C12H16O2/c1-11(13)7-3-4-5(7)10-9(11)6(3)8(4)12(10,2)14/h3-10,13-14H,1-2H3/t3-,4-,5-,6+,7+,8+,9+,10-,11-,12+/m1/s1
InChIKeyIJZYUZHMQPAATI-COZRNNPFSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol?
The IUPAC name of (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol (CID 124807375) is (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol.
What is the SMILES notation for (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol?
The canonical SMILES for (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol is C[C@]1(O)[C@H]2[C@@H]3[C@@H]4[C@@H]2[C@H]2[C@H]1[C@H]3[C@H]4[C@@]2(C)O.
What is the InChIKey of (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol?
The InChIKey is IJZYUZHMQPAATI-COZRNNPFSA-N. The full InChI is InChI=1S/C12H16O2/c1-11(13)7-3-4-5(7)10-9(11)6(3)8(4)12(10,2)14/h3-10,13-14H,1-2H3/t3-,4-,5-,6+,7+,8+,9+,10-,11-,12+/m1/s1.
What are the key properties of (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol?
(1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol has a molecular weight of 192.26 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R,5S,6R,7S,8S,9S,10S)-6,10-dimethylpentacyclo[5.3.0.02,5.03,9.04,8]decane-6,10-diol is sourced from PubChem (CID 124807375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).