(1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]

C14H24O — CID 125451940

IUPAC(1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
SMILESCCC1CCC2(CC1)CC[C@H]1C[C@H]1CO2
InChIInChI=1S/C14H24O/c1-2-11-3-6-14(7-4-11)8-5-12-9-13(12)10-15-14/h11-13H,2-10H2,1H3/t11?,12-,13-,14?/m0/s1
InChIKeyDUVXNMGECPHZOF-QPPOZKHWSA-N
MW208.34 g/mol
LogP3.77
Rot. Bonds1

About (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]

(1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] (PubChem CID 125451940) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane].

Molecular Properties

Compound Name(1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
PubChem CID125451940
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name(1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
SMILESCCC1CCC2(CC1)CC[C@H]1C[C@H]1CO2
InChIInChI=1S/C14H24O/c1-2-11-3-6-14(7-4-11)8-5-12-9-13(12)10-15-14/h11-13H,2-10H2,1H3/t11?,12-,13-,14?/m0/s1
InChIKeyDUVXNMGECPHZOF-QPPOZKHWSA-N
XLogP3.77
TPSA9.23 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 ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] with MolForge

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Related Compounds

(1S,7S)-4'-methylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125451798
(1R,7R)-4'-tert-butylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125453967
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
(1R,4S,7S)-3',3'-dimethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125452299
6-ethyl-4-oxaspiro[2.4]heptane
CID 166857382
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2,2-difluoro-1,3-dioxane
CID 154524113
9-ethyl-1-oxa-4-azaspiro[5.6]dodecane
CID 65122613
8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
CID 130584550
(1S,3S)-3-ethylbicyclo[4.1.0]heptane
CID 143706776
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
11-ethyl-7-oxa-15-azadispiro[5.1.58.36]hexadecane
CID 65213732
7-ethyl-3-(3-ethylcyclohexyl)bicyclo[9.4.0]pentadecane
CID 58552621

Frequently Asked Questions

What is the IUPAC name of (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]?
The IUPAC name of (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] (CID 125451940) is (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane].
What is the SMILES notation for (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]?
The canonical SMILES for (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] is CCC1CCC2(CC1)CC[C@H]1C[C@H]1CO2.
What is the InChIKey of (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]?
The InChIKey is DUVXNMGECPHZOF-QPPOZKHWSA-N. The full InChI is InChI=1S/C14H24O/c1-2-11-3-6-14(7-4-11)8-5-12-9-13(12)10-15-14/h11-13H,2-10H2,1H3/t11?,12-,13-,14?/m0/s1.
What are the key properties of (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]?
(1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] has a molecular weight of 208.34 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane] is sourced from PubChem (CID 125451940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).