9-deuterio-9-pentyl-6-oxaspiro[4.5]decane

C14H26O — CID 158282600

IUPAC9-deuterio-9-pentyl-6-oxaspiro[4.5]decane
SMILES[2H]C1(CCCCC)CCOC2(CCCC2)C1
InChIInChI=1S/C14H26O/c1-2-3-4-7-13-8-11-15-14(12-13)9-5-6-10-14/h13H,2-12H2,1H3/i13D
InChIKeyGKJVXMRMPGRJDV-YSOHJTORSA-N
MW211.37 g/mol
LogP4.31
Rot. Bonds4

About 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane

9-deuterio-9-pentyl-6-oxaspiro[4.5]decane (PubChem CID 158282600) has the molecular formula C14H26O and a molecular weight of 211.37 g/mol. Its IUPAC name is 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name9-deuterio-9-pentyl-6-oxaspiro[4.5]decane
PubChem CID158282600
Molecular FormulaC14H26O
Molecular Weight211.37 g/mol
Exact Mass211.20
IUPAC Name9-deuterio-9-pentyl-6-oxaspiro[4.5]decane
SMILES[2H]C1(CCCCC)CCOC2(CCCC2)C1
InChIInChI=1S/C14H26O/c1-2-3-4-7-13-8-11-15-14(12-13)9-5-6-10-14/h13H,2-12H2,1H3/i13D
InChIKeyGKJVXMRMPGRJDV-YSOHJTORSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-ol
CID 79913392
1-(6-oxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105016795
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
1-(5-oxaspiro[3.5]nonan-8-yl)octylhydrazine
CID 105322193
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705
N-(2-butoxyethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895357
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792

Frequently Asked Questions

What is the IUPAC name of 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane?
The IUPAC name of 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane (CID 158282600) is 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane.
What is the SMILES notation for 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane?
The canonical SMILES for 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane is [2H]C1(CCCCC)CCOC2(CCCC2)C1.
What is the InChIKey of 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane?
The InChIKey is GKJVXMRMPGRJDV-YSOHJTORSA-N. The full InChI is InChI=1S/C14H26O/c1-2-3-4-7-13-8-11-15-14(12-13)9-5-6-10-14/h13H,2-12H2,1H3/i13D.
What are the key properties of 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane?
9-deuterio-9-pentyl-6-oxaspiro[4.5]decane has a molecular weight of 211.37 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-deuterio-9-pentyl-6-oxaspiro[4.5]decane is sourced from PubChem (CID 158282600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).