(1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol

C12H16O — CID 98556929

IUPAC(1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol
SMILESO[C@@H]1[C@H]2C[C@H]3[C@@H]4[C@@H]5CC[C@@H]([C@@H]24)[C@@H]5[C@@H]13
InChIInChI=1S/C12H16O/c13-12-7-3-6-9-4-1-2-5(10(7)9)8(4)11(6)12/h4-13H,1-3H2/t4-,5-,6+,7+,8-,9+,10+,11+,12-/m1/s1
InChIKeyGSSBOPAJULYSHJ-RUKGUBFJSA-N
MW176.26 g/mol
LogP1.52
Rot. Bonds

About (1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol

(1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol (PubChem CID 98556929) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol.

Molecular Properties

Compound Name(1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol
PubChem CID98556929
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol
SMILESO[C@@H]1[C@H]2C[C@H]3[C@@H]4[C@@H]5CC[C@@H]([C@@H]24)[C@@H]5[C@@H]13
InChIInChI=1S/C12H16O/c13-12-7-3-6-9-4-1-2-5(10(7)9)8(4)11(6)12/h4-13H,1-3H2/t4-,5-,6+,7+,8-,9+,10+,11+,12-/m1/s1
InChIKeyGSSBOPAJULYSHJ-RUKGUBFJSA-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,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol?
The IUPAC name of (1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol (CID 98556929) is (1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol.
What is the SMILES notation for (1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol?
The canonical SMILES for (1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol is O[C@@H]1[C@H]2C[C@H]3[C@@H]4[C@@H]5CC[C@@H]([C@@H]24)[C@@H]5[C@@H]13.
What is the InChIKey of (1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol?
The InChIKey is GSSBOPAJULYSHJ-RUKGUBFJSA-N. The full InChI is InChI=1S/C12H16O/c13-12-7-3-6-9-4-1-2-5(10(7)9)8(4)11(6)12/h4-13H,1-3H2/t4-,5-,6+,7+,8-,9+,10+,11+,12-/m1/s1.
What are the key properties of (1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol?
(1S,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-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,2R,3S,4R,5S,7S,8S,9R,10S)-pentacyclo[6.4.0.02,10.03,7.05,9]dodecan-4-ol is sourced from PubChem (CID 98556929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).