(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol

C10H16O — CID 155821960

IUPAC(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol
SMILESOC1CC[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]12
InChIInChI=1S/C10H16O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-11H,1-5H2/t6-,7+,8-,9?,10+/m1/s1
InChIKeyQIBGUXADVFUERT-FHJSOTJFSA-N
MW152.24 g/mol
LogP1.80
Rot. Bonds

About (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol

(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol (PubChem CID 155821960) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol.

Molecular Properties

Compound Name(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol
PubChem CID155821960
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol
SMILESOC1CC[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]12
InChIInChI=1S/C10H16O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-11H,1-5H2/t6-,7+,8-,9?,10+/m1/s1
InChIKeyQIBGUXADVFUERT-FHJSOTJFSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol?
The IUPAC name of (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol (CID 155821960) is (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol.
What is the SMILES notation for (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol?
The canonical SMILES for (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol is OC1CC[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]12.
What is the InChIKey of (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol?
The InChIKey is QIBGUXADVFUERT-FHJSOTJFSA-N. The full InChI is InChI=1S/C10H16O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h6-11H,1-5H2/t6-,7+,8-,9?,10+/m1/s1.
What are the key properties of (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol?
(1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol has a molecular weight of 152.24 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,6R,7R)-tricyclo[5.2.1.02,6]decan-3-ol is sourced from PubChem (CID 155821960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).