5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol

C9H12O3 — CID 74409132

IUPAC5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol
SMILESOC1OC2OC3CC4CC3C2C41
InChIInChI=1S/C9H12O3/c10-8-6-3-1-4-5(2-3)11-9(12-8)7(4)6/h3-10H,1-2H2
InChIKeyHZSPPNGQCJIGRP-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.33
Rot. Bonds

About 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol

5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol (PubChem CID 74409132) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol.

Molecular Properties

Compound Name5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol
PubChem CID74409132
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol
SMILESOC1OC2OC3CC4CC3C2C41
InChIInChI=1S/C9H12O3/c10-8-6-3-1-4-5(2-3)11-9(12-8)7(4)6/h3-10H,1-2H2
InChIKeyHZSPPNGQCJIGRP-UHFFFAOYSA-N
XLogP0.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol?
The IUPAC name of 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol (CID 74409132) is 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol.
What is the SMILES notation for 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol?
The canonical SMILES for 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol is OC1OC2OC3CC4CC3C2C41.
What is the InChIKey of 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol?
The InChIKey is HZSPPNGQCJIGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c10-8-6-3-1-4-5(2-3)11-9(12-8)7(4)6/h3-10H,1-2H2.
What are the key properties of 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol?
5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol has a molecular weight of 168.19 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol is sourced from PubChem (CID 74409132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).