(1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol

C12H16O — CID 98556285

IUPAC(1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol
SMILESO[C@H]1C[C@@H]2[C@@H]3[C@@H]4CC[C@H]5[C@@H]4[C@@H]2[C@H]1[C@H]53
InChIInChI=1S/C12H16O/c13-7-3-6-9-4-1-2-5-8(4)11(6)12(7)10(5)9/h4-13H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-/m1/s1
InChIKeyWFYBBUYHFFOKJP-RROBTUQGSA-N
MW176.26 g/mol
LogP1.52
Rot. Bonds

About (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol

(1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol (PubChem CID 98556285) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol.

Molecular Properties

Compound Name(1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol
PubChem CID98556285
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol
SMILESO[C@H]1C[C@@H]2[C@@H]3[C@@H]4CC[C@H]5[C@@H]4[C@@H]2[C@H]1[C@H]53
InChIInChI=1S/C12H16O/c13-7-3-6-9-4-1-2-5-8(4)11(6)12(7)10(5)9/h4-13H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-/m1/s1
InChIKeyWFYBBUYHFFOKJP-RROBTUQGSA-N
XLogP1.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol with MolForge

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Related Compounds

(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,2S,3R,4S,6R,7S,8S)-tetracyclo[4.3.0.02,4.03,7]nonan-8-ol
CID 98503863
(1S,2R,3R,4R,5S,7R,8R,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol
CID 124785036
(1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol
CID 98556929
pentacyclo[4.4.0.02,8.03,5.04,7]decane
CID 90487238
(1R,2S,3R,5S,6R,8R,9S,11S)-tetracyclo[6.3.0.02,6.05,9]undecane-3,11-diol
CID 98083944
(3R,6R,7S,10S)-tetracyclo[5.3.0.02,6.03,10]decane
CID 124525163
tetracyclo[4.4.0.02,7.03,8]decane
CID 146782655
(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
(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
heptadecacyclo[18.16.0.02,19.03,18.04,17.05,16.06,15.07,14.08,13.09,12.021,36.022,35.023,34.024,33.025,32.026,31.027,30]hexatriacontane
CID 20663352
(12S)-octacyclo[8.8.0.02,9.03,8.04,7.011,18.012,17.013,16]octadecane
CID 59762682

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol?
The IUPAC name of (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol (CID 98556285) is (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol.
What is the SMILES notation for (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol?
The canonical SMILES for (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol is O[C@H]1C[C@@H]2[C@@H]3[C@@H]4CC[C@H]5[C@@H]4[C@@H]2[C@H]1[C@H]53.
What is the InChIKey of (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol?
The InChIKey is WFYBBUYHFFOKJP-RROBTUQGSA-N. The full InChI is InChI=1S/C12H16O/c13-7-3-6-9-4-1-2-5-8(4)11(6)12(7)10(5)9/h4-13H,1-3H2/t4-,5+,6-,7+,8-,9+,10-,11-,12-/m1/s1.
What are the key properties of (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol?
(1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol has a molecular weight of 176.26 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R,5S,7R,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.04,9]dodecan-5-ol is sourced from PubChem (CID 98556285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).