4-cycloheptyl-8-oxabicyclo[5.1.0]octane

C14H24O — CID 54192713

IUPAC4-cycloheptyl-8-oxabicyclo[5.1.0]octane
SMILESC1CCCC(C2CCC3OC3CC2)CC1
InChIInChI=1S/C14H24O/c1-2-4-6-11(5-3-1)12-7-9-13-14(15-13)10-8-12/h11-14H,1-10H2
InChIKeyPJQFIDRMQVRWRM-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.91
Rot. Bonds1

About 4-cycloheptyl-8-oxabicyclo[5.1.0]octane

4-cycloheptyl-8-oxabicyclo[5.1.0]octane (PubChem CID 54192713) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 4-cycloheptyl-8-oxabicyclo[5.1.0]octane.

Molecular Properties

Compound Name4-cycloheptyl-8-oxabicyclo[5.1.0]octane
PubChem CID54192713
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name4-cycloheptyl-8-oxabicyclo[5.1.0]octane
SMILESC1CCCC(C2CCC3OC3CC2)CC1
InChIInChI=1S/C14H24O/c1-2-4-6-11(5-3-1)12-7-9-13-14(15-13)10-8-12/h11-14H,1-10H2
InChIKeyPJQFIDRMQVRWRM-UHFFFAOYSA-N
XLogP3.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
CID 88535344

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-8-oxabicyclo[5.1.0]octane?
The IUPAC name of 4-cycloheptyl-8-oxabicyclo[5.1.0]octane (CID 54192713) is 4-cycloheptyl-8-oxabicyclo[5.1.0]octane.
What is the SMILES notation for 4-cycloheptyl-8-oxabicyclo[5.1.0]octane?
The canonical SMILES for 4-cycloheptyl-8-oxabicyclo[5.1.0]octane is C1CCCC(C2CCC3OC3CC2)CC1.
What is the InChIKey of 4-cycloheptyl-8-oxabicyclo[5.1.0]octane?
The InChIKey is PJQFIDRMQVRWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-4-6-11(5-3-1)12-7-9-13-14(15-13)10-8-12/h11-14H,1-10H2.
What are the key properties of 4-cycloheptyl-8-oxabicyclo[5.1.0]octane?
4-cycloheptyl-8-oxabicyclo[5.1.0]octane has a molecular weight of 208.34 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-8-oxabicyclo[5.1.0]octane is sourced from PubChem (CID 54192713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).