1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol

C19H32O2 — CID 115401216

IUPAC1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H32O2/c1-16(2)14-6-10-17(3,12-14)19(16,20)15-7-11-21-18(13-15)8-4-5-9-18/h14-15,20H,4-13H2,1-3H3
InChIKeyKURLHDMZMUXCKU-UHFFFAOYSA-N
MW292.46 g/mol
LogP4.30
Rot. Bonds1

About 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol

1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 115401216) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
PubChem CID115401216
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C19H32O2/c1-16(2)14-6-10-17(3,12-14)19(16,20)15-7-11-21-18(13-15)8-4-5-9-18/h14-15,20H,4-13H2,1-3H3
InChIKeyKURLHDMZMUXCKU-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol (CID 115401216) is 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is KURLHDMZMUXCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-16(2)14-6-10-17(3,12-14)19(16,20)15-7-11-21-18(13-15)8-4-5-9-18/h14-15,20H,4-13H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol?
1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 292.46 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 115401216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).