1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol

C19H26O2 — CID 79899726

IUPAC1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(C2CCOC3(CCCC3)C2)CCCc2ccccc21
InChIInChI=1S/C19H26O2/c20-19(12-5-7-15-6-1-2-8-17(15)19)16-9-13-21-18(14-16)10-3-4-11-18/h1-2,6,8,16,20H,3-5,7,9-14H2
InChIKeyDAZMMCCYBGGBRD-UHFFFAOYSA-N
MW286.41 g/mol
LogP3.95
Rot. Bonds1

About 1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol

1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 79899726) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID79899726
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(C2CCOC3(CCCC3)C2)CCCc2ccccc21
InChIInChI=1S/C19H26O2/c20-19(12-5-7-15-6-1-2-8-17(15)19)16-9-13-21-18(14-16)10-3-4-11-18/h1-2,6,8,16,20H,3-5,7,9-14H2
InChIKeyDAZMMCCYBGGBRD-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol (CID 79899726) is 1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol is OC1(C2CCOC3(CCCC3)C2)CCCc2ccccc21.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is DAZMMCCYBGGBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c20-19(12-5-7-15-6-1-2-8-17(15)19)16-9-13-21-18(14-16)10-3-4-11-18/h1-2,6,8,16,20H,3-5,7,9-14H2.
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol?
1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 286.41 g/mol, XLogP of 3.95, 1 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)-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 79899726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).