3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid

C17H28O3 — CID 79923331

IUPAC3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCC(C(=O)O)(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C17H28O3/c1-2-13-5-3-9-17(11-13,15(18)19)14-6-10-20-16(12-14)7-4-8-16/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyMTXKJPBHEVPPNV-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.01
Rot. Bonds3

About 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid

3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid (PubChem CID 79923331) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid
PubChem CID79923331
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCC(C(=O)O)(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C17H28O3/c1-2-13-5-3-9-17(11-13,15(18)19)14-6-10-20-16(12-14)7-4-8-16/h13-14H,2-12H2,1H3,(H,18,19)
InChIKeyMTXKJPBHEVPPNV-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913050
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid
CID 103739463
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1-carboxylic acid
CID 79907917
1-(1,1-dioxothiolan-3-yl)-3-ethylcyclohexane-1-carboxylic acid
CID 65402705
10-ethyl-1-oxaspiro[5.5]undecane
CID 144986649
3-(6-oxaspiro[4.5]decan-9-yl)-1,1-dioxothiolane-3-carboxylic acid
CID 115337903
4-ethyl-1-(oxolan-3-yl)cyclohexane-1-carboxylic acid
CID 79429126
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913769
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
CID 79425993
2-(5-oxaspiro[3.5]nonan-8-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79922421

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid (CID 79923331) is 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid is CCC1CCCC(C(=O)O)(C2CCOC3(CCC3)C2)C1.
What is the InChIKey of 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid?
The InChIKey is MTXKJPBHEVPPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-2-13-5-3-9-17(11-13,15(18)19)14-6-10-20-16(12-14)7-4-8-16/h13-14H,2-12H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid?
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79923331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).