(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol

C12H16O — CID 131037378

IUPAC(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol
SMILESO[C@H]1[C@H]2C[C@H]3[C@@H]1[C@H]1C[C@@H]4C[C@H]1[C@H]3[C@@H]42
InChIInChI=1S/C12H16O/c13-12-8-3-7-10-5-1-4(9(8)10)2-6(5)11(7)12/h4-13H,1-3H2/t4-,5+,6-,7+,8-,9-,10+,11-,12-/m0/s1
InChIKeyMYRCGMIJBGCNNW-VVNACRPDSA-N
MW176.26 g/mol
LogP1.52
Rot. Bonds

About (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol

(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol (PubChem CID 131037378) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol.

Molecular Properties

Compound Name(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol
PubChem CID131037378
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol
SMILESO[C@H]1[C@H]2C[C@H]3[C@@H]1[C@H]1C[C@@H]4C[C@H]1[C@H]3[C@@H]42
InChIInChI=1S/C12H16O/c13-12-8-3-7-10-5-1-4(9(8)10)2-6(5)11(7)12/h4-13H,1-3H2/t4-,5+,6-,7+,8-,9-,10+,11-,12-/m0/s1
InChIKeyMYRCGMIJBGCNNW-VVNACRPDSA-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

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol?
The IUPAC name of (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol (CID 131037378) is (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol.
What is the SMILES notation for (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol?
The canonical SMILES for (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol is O[C@H]1[C@H]2C[C@H]3[C@@H]1[C@H]1C[C@@H]4C[C@H]1[C@H]3[C@@H]42.
What is the InChIKey of (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol?
The InChIKey is MYRCGMIJBGCNNW-VVNACRPDSA-N. The full InChI is InChI=1S/C12H16O/c13-12-8-3-7-10-5-1-4(9(8)10)2-6(5)11(7)12/h4-13H,1-3H2/t4-,5+,6-,7+,8-,9-,10+,11-,12-/m0/s1.
What are the key properties of (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol?
(1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-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 (1S,3R,4R,5R,7S,8S,9S,10S,12R)-pentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-ol is sourced from PubChem (CID 131037378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).