4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol

C19H30O3 — CID 23158054

IUPAC4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol
SMILESOC1CCC(C(C2CCC3OC3C2)C2CCC3OC3C2)CC1
InChIInChI=1S/C19H30O3/c20-14-5-1-11(2-6-14)19(12-3-7-15-17(9-12)21-15)13-4-8-16-18(10-13)22-16/h11-20H,1-10H2
InChIKeyKUWCXLAIZNZAQM-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.29
Rot. Bonds3

About 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol

4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol (PubChem CID 23158054) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol
PubChem CID23158054
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol
SMILESOC1CCC(C(C2CCC3OC3C2)C2CCC3OC3C2)CC1
InChIInChI=1S/C19H30O3/c20-14-5-1-11(2-6-14)19(12-3-7-15-17(9-12)21-15)13-4-8-16-18(10-13)22-16/h11-20H,1-10H2
InChIKeyKUWCXLAIZNZAQM-UHFFFAOYSA-N
XLogP3.29
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)
CID 18952580
3-[1-(7-Oxabicyclo[4.1.0]heptan-3-yl)propyl]-7-oxabicyclo[4.1.0]heptane
CID 17821421
3-[2,11-Dimethyl-10-(7-oxabicyclo[4.1.0]heptan-3-yl)dodecan-3-yl]-7-oxabicyclo[4.1.0]heptane
CID 17974293
3-[2,7-Dimethyl-6-(7-oxabicyclo[4.1.0]heptan-3-yl)octan-3-yl]-7-oxabicyclo[4.1.0]heptane
CID 17974295
3-[3-Methyl-1-(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 17974296
2'-(7-Oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,5'-cyclohexane]-1',3'-diol
CID 18182975
3-(7-Oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 18769249
3,4-Bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 20677705
3-[4-(7-Oxabicyclo[4.1.0]heptan-3-yl)-2,3-bis(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)butyl]-7-oxabicyclo[4.1.0]heptane
CID 20677706
3-[1,3,4-Tris(7-oxabicyclo[4.1.0]heptan-3-yl)butan-2-yl]-7-oxabicyclo[4.1.0]heptane
CID 20735775
4-[6-(7-Oxabicyclo[4.1.0]heptan-3-yl)hexyl]cyclohexan-1-ol
CID 23158005
4-[4-(7-Oxabicyclo[4.1.0]heptan-3-yl)butyl]cyclohexan-1-ol
CID 23158019

Frequently Asked Questions

What is the IUPAC name of 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol (CID 23158054) is 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol is OC1CCC(C(C2CCC3OC3C2)C2CCC3OC3C2)CC1.
What is the InChIKey of 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is KUWCXLAIZNZAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c20-14-5-1-11(2-6-14)19(12-3-7-15-17(9-12)21-15)13-4-8-16-18(10-13)22-16/h11-20H,1-10H2.
What are the key properties of 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol?
4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(7-oxabicyclo[4.1.0]heptan-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23158054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).