(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol

C9H12O — CID 98503863

IUPAC(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol
SMILESO[C@H]1C[C@@H]2[C@H]3C[C@H]4[C@@H]2[C@@H]4[C@H]31
InChIInChI=1S/C9H12O/c10-6-2-4-3-1-5-7(4)9(5)8(3)6/h3-10H,1-2H2/t3-,4-,5+,6+,7-,8-,9-/m1/s1
InChIKeyIKWYOOBSVGMXEE-YVRYLLMOSA-N
MW136.19 g/mol
LogP0.88
Rot. Bonds

About (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol

(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol (PubChem CID 98503863) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol.

Molecular Properties

Compound Name(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol
PubChem CID98503863
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol
SMILESO[C@H]1C[C@@H]2[C@H]3C[C@H]4[C@@H]2[C@@H]4[C@H]31
InChIInChI=1S/C9H12O/c10-6-2-4-3-1-5-7(4)9(5)8(3)6/h3-10H,1-2H2/t3-,4-,5+,6+,7-,8-,9-/m1/s1
InChIKeyIKWYOOBSVGMXEE-YVRYLLMOSA-N
XLogP0.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol with MolForge

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Related Compounds

(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
CID 98083944
(1R,2R,3S,4R,5R,7R,8R,9R,10R,12R)-pentacyclo[6.4.0.02,5.03,10.04,9]dodecane-7,12-diol
CID 124792530
(1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol
CID 98556285
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923
(1S,2S,3S,5R,6R,7R,8R,9S,10R,11S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-diol
CID 6542091
pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-diol
CID 13108252
(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
(1R,2R,3S,4R,5R,6R,7S,8S,9S)-pentacyclo[5.3.0.02,5.03,9.04,8]decan-6-ol
CID 6565918
(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol
CID 131037378
(2S,3R,5R,6S)-tricyclo[2.2.1.02,6]heptane-3,5-diol
CID 124541002
hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
(1S,2R,3R,4R,5S,7R,8R,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol
CID 124785036

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol?
The IUPAC name of (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol (CID 98503863) is (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol.
What is the SMILES notation for (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol?
The canonical SMILES for (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol is O[C@H]1C[C@@H]2[C@H]3C[C@H]4[C@@H]2[C@@H]4[C@H]31.
What is the InChIKey of (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol?
The InChIKey is IKWYOOBSVGMXEE-YVRYLLMOSA-N. The full InChI is InChI=1S/C9H12O/c10-6-2-4-3-1-5-7(4)9(5)8(3)6/h3-10H,1-2H2/t3-,4-,5+,6+,7-,8-,9-/m1/s1.
What are the key properties of (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol?
(1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol has a molecular weight of 136.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol is sourced from PubChem (CID 98503863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).