(4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol

C8H12O3 — CID 134968430

IUPAC(4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol
SMILESO[C@H]1C2CO[C@H]3OCC1C3C2
InChIInChI=1S/C8H12O3/c9-7-4-1-5-6(7)3-11-8(5)10-2-4/h4-9H,1-3H2/t4?,5?,6?,7-,8-/m0/s1
InChIKeyGXZKCOYBDQSWRK-CBXNMEFOSA-N
MW156.18 g/mol
LogP-0.01
Rot. Bonds

About (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol

(4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol (PubChem CID 134968430) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol.

Molecular Properties

Compound Name(4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol
PubChem CID134968430
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol
SMILESO[C@H]1C2CO[C@H]3OCC1C3C2
InChIInChI=1S/C8H12O3/c9-7-4-1-5-6(7)3-11-8(5)10-2-4/h4-9H,1-3H2/t4?,5?,6?,7-,8-/m0/s1
InChIKeyGXZKCOYBDQSWRK-CBXNMEFOSA-N
XLogP-0.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol with MolForge

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Related Compounds

2,10-Dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
CID 74951122
(2aS,4R,4aR)-Hexahydro-2H-1,7-dioxacyclopenta[cd]indene-2a,4(3H)-diol
CID 71716363
Cistanin
CID 44205314
(1R,4R,6S,7R,11R)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-ol
CID 138979762
(1S,4S,6R,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecan-6-ol
CID 138979764
(4S,7S,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,5-diol
CID 5315925
(3aR,6S,6aS)-3,3-dimethyl-6-(oxan-2-yloxymethyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-5-ol
CID 134970804
(3aR,4R,5R,6aS)-4-(dimethoxymethyl)-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 134998392
(1R,4R,5S,6S,7R,11S)-2,10-dioxatricyclo[5.3.1.04,11]undecane-5,6-diol
CID 135036814
(1S,4R,6S,7R,8S,9R,11R)-9-(hydroxymethyl)-2,10-dioxatricyclo[5.3.1.04,11]undecane-6,8-diol
CID 10822583
5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-ol
CID 14032999
3,7-Dioxatricyclo[4.3.0.02,4]nonan-8-ol
CID 14376516

Frequently Asked Questions

What is the IUPAC name of (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol?
The IUPAC name of (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol (CID 134968430) is (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol.
What is the SMILES notation for (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol?
The canonical SMILES for (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol is O[C@H]1C2CO[C@H]3OCC1C3C2.
What is the InChIKey of (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol?
The InChIKey is GXZKCOYBDQSWRK-CBXNMEFOSA-N. The full InChI is InChI=1S/C8H12O3/c9-7-4-1-5-6(7)3-11-8(5)10-2-4/h4-9H,1-3H2/t4?,5?,6?,7-,8-/m0/s1.
What are the key properties of (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol?
(4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol has a molecular weight of 156.18 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol is sourced from PubChem (CID 134968430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).