1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid

C18H30O3 — CID 80610980

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
SMILESO=C(O)C1(C2CCOC3(CCCC3)C2)CCCCCCC1
InChIInChI=1S/C18H30O3/c19-16(20)18(11-4-2-1-3-5-12-18)15-8-13-21-17(14-15)9-6-7-10-17/h15H,1-14H2,(H,19,20)
InChIKeyBWBLPWYGKZSRRP-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.54
Rot. Bonds2

About 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid

1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid (PubChem CID 80610980) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
PubChem CID80610980
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
SMILESO=C(O)C1(C2CCOC3(CCCC3)C2)CCCCCCC1
InChIInChI=1S/C18H30O3/c19-16(20)18(11-4-2-1-3-5-12-18)15-8-13-21-17(14-15)9-6-7-10-17/h15H,1-14H2,(H,19,20)
InChIKeyBWBLPWYGKZSRRP-UHFFFAOYSA-N
XLogP4.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid
CID 103739463
3-(6-oxaspiro[4.5]decan-9-yl)-1,1-dioxothiolane-3-carboxylic acid
CID 115337903
3-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexane-1-carboxylic acid
CID 79923331
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(1-oxaspiro[5.5]undecan-4-yl)-2-oxocyclohexane-1-carboxylic acid
CID 103575080
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1-carboxylic acid
CID 79907917
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-1,1-dioxothiolane-3-carboxylic acid
CID 115337933
N-(1-oxaspiro[5.5]undecan-4-yl)acetamide
CID 51358556
2-(5-oxaspiro[3.5]nonan-8-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79922421
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid (CID 80610980) is 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid is O=C(O)C1(C2CCOC3(CCCC3)C2)CCCCCCC1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid?
The InChIKey is BWBLPWYGKZSRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c19-16(20)18(11-4-2-1-3-5-12-18)15-8-13-21-17(14-15)9-6-7-10-17/h15H,1-14H2,(H,19,20).
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid?
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid has a molecular weight of 294.44 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid is sourced from PubChem (CID 80610980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).