(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol

C12H18O2 — CID 10774199

IUPAC(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
SMILESO[C@@H]1[C@H](O)C2C[C@H]1C1C2[C@@H]2CC[C@H]1C2
InChIInChI=1S/C12H18O2/c13-11-7-4-8(12(11)14)10-6-2-1-5(3-6)9(7)10/h5-14H,1-4H2/t5-,6+,7-,8?,9?,10?,11-,12+/m0/s1
InChIKeyMLKBPKWZSHHIJS-XMDIBKCSSA-N
MW194.27 g/mol
LogP1.02
Rot. Bonds

About (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol

(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol (PubChem CID 10774199) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol.

Molecular Properties

Compound Name(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
PubChem CID10774199
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol
SMILESO[C@@H]1[C@H](O)C2C[C@H]1C1C2[C@@H]2CC[C@H]1C2
InChIInChI=1S/C12H18O2/c13-11-7-4-8(12(11)14)10-6-2-1-5(3-6)9(7)10/h5-14H,1-4H2/t5-,6+,7-,8?,9?,10?,11-,12+/m0/s1
InChIKeyMLKBPKWZSHHIJS-XMDIBKCSSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol with MolForge

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Related Compounds

tetracyclo[6.2.1.13,6.02,7]dodecane-4,12-diol
CID 130146424
5-methoxytetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 70849409
(1S,2R,3R,5R,6S,8S,9S,11S,12R,13S)-pentacyclo[11.2.1.02,6.05,9.08,12]hexadecane-3,11-diol
CID 125035129
3-cyclopropylbicyclo[2.2.1]heptan-2-ol
CID 123278941
ethane;pentacyclo[9.2.1.14,7.02,10.03,8]pentadecane
CID 91554389
(4R)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 166987336
(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 124812816
(1R,2S,3S,6S,7S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 130857696
[(1R,3S,6R,8S)-5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
CID 11031451
pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
CID 13108252
(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
CID 101126936
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol?
The IUPAC name of (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol (CID 10774199) is (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol.
What is the SMILES notation for (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol?
The canonical SMILES for (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol is O[C@@H]1[C@H](O)C2C[C@H]1C1C2[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol?
The InChIKey is MLKBPKWZSHHIJS-XMDIBKCSSA-N. The full InChI is InChI=1S/C12H18O2/c13-11-7-4-8(12(11)14)10-6-2-1-5(3-6)9(7)10/h5-14H,1-4H2/t5-,6+,7-,8?,9?,10?,11-,12+/m0/s1.
What are the key properties of (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol?
(1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol has a molecular weight of 194.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,5S,6S,8S)-tetracyclo[6.2.1.13,6.02,7]dodecane-4,5-diol is sourced from PubChem (CID 10774199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).