4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol

C11H16O2 — CID 142049798

IUPAC4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol
SMILESOC1CC2CC(C1)C1C2CC2OC21
InChIInChI=1S/C11H16O2/c12-7-2-5-1-6(3-7)10-8(5)4-9-11(10)13-9/h5-12H,1-4H2
InChIKeyWPQHLNAUXZFCEY-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.18
Rot. Bonds

About 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol

4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol (PubChem CID 142049798) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol.

Molecular Properties

Compound Name4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol
PubChem CID142049798
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol
SMILESOC1CC2CC(C1)C1C2CC2OC21
InChIInChI=1S/C11H16O2/c12-7-2-5-1-6(3-7)10-8(5)4-9-11(10)13-9/h5-12H,1-4H2
InChIKeyWPQHLNAUXZFCEY-UHFFFAOYSA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,3R,5R,7R,8S,10S)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-ol
CID 98541977
CID 20640902
CID 20640902
(2R,3aR,3bS,5S,6aR,7aS)-2,3,3a,3b,4,5,6,6a,7,7a-decahydro-1H-cyclopenta[a]pentalene-2,5-diol
CID 15363007
9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
CID 59097462
[(1S,2S,3R,5R,7R,8R,10R)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yl] acetate
CID 124836742
[dimethyl(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl)silyl]oxy-dimethyl-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl)silane
CID 102243381
(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 53393744
(1S,2S,3S,5S,7R,8R,9S,11R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 99721647
7-oxabicyclo[4.1.0]heptan-3-yl 4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl carbonate
CID 154233286
(1R,2R,3R,5R,7R,8S,9R)-9-[2-[2-[[(1S,2R,3R,5R,7R,8R,9R)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl]oxy]ethoxy]ethoxy]-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
CID 98114027
4-oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yl propanoate
CID 152960697
5,12-dioxaheptacyclo[7.6.1.02,8.03,7.04,6.010,15.011,13]hexadecane
CID 123198267

Frequently Asked Questions

What is the IUPAC name of 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol?
The IUPAC name of 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol (CID 142049798) is 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol.
What is the SMILES notation for 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol?
The canonical SMILES for 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol is OC1CC2CC(C1)C1C2CC2OC21.
What is the InChIKey of 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol?
The InChIKey is WPQHLNAUXZFCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-7-2-5-1-6(3-7)10-8(5)4-9-11(10)13-9/h5-12H,1-4H2.
What are the key properties of 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol?
4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol has a molecular weight of 180.25 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol is sourced from PubChem (CID 142049798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).