decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol

C19H38O3 — CID 162007927

IUPACdecane;1,4-dioxaspiro[4.5]decan-8-ylmethanol
SMILESCCCCCCCCCC.OCC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H22.C9H16O3/c1-3-5-7-9-10-8-6-4-2;10-7-8-1-3-9(4-2-8)11-5-6-12-9/h3-10H2,1-2H3;8,10H,1-7H2
InChIKeyYTBYAQSPYJYMJR-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.06
Rot. Bonds8

About decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol

decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol (PubChem CID 162007927) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol.

Molecular Properties

Compound Namedecane;1,4-dioxaspiro[4.5]decan-8-ylmethanol
PubChem CID162007927
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Namedecane;1,4-dioxaspiro[4.5]decan-8-ylmethanol
SMILESCCCCCCCCCC.OCC1CCC2(CC1)OCCO2
InChIInChI=1S/C10H22.C9H16O3/c1-3-5-7-9-10-8-6-4-2;10-7-8-1-3-9(4-2-8)11-5-6-12-9/h3-10H2,1-2H3;8,10H,1-7H2
InChIKeyYTBYAQSPYJYMJR-UHFFFAOYSA-N
XLogP5.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-N-methyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 79120485
1,2-dioxaspiro[2.5]octan-6-ylmethanol
CID 141153592
8-octyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 21249280
8-(cyclopropylmethyl)-1,4-dioxaspiro[4.5]decane
CID 58749727
(8S,9R)-8-methyl-9-pentyl-1,4-dioxaspiro[4.4]nonane
CID 154944031
[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899796
2-(9-pentyl-1,4-dioxaspiro[4.4]nonan-8-yl)ethyl acetate
CID 152765326
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
CID 24828450
2-(1,4-dioxaspiro[4.5]decan-8-yl)ethanol;ethyl 2-(1,4-dioxaspiro[4.5]decan-8-yl)acetate
CID 165027481
ethyl 2-(9-hexyl-1,4-dioxaspiro[4.4]nonan-8-yl)acetate
CID 139765484
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
8-(4,4,4-trifluorobutyl)-1,4-dioxaspiro[4.5]decane
CID 53252711

Frequently Asked Questions

What is the IUPAC name of decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol?
The IUPAC name of decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol (CID 162007927) is decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol.
What is the SMILES notation for decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol?
The canonical SMILES for decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol is CCCCCCCCCC.OCC1CCC2(CC1)OCCO2.
What is the InChIKey of decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol?
The InChIKey is YTBYAQSPYJYMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C9H16O3/c1-3-5-7-9-10-8-6-4-2;10-7-8-1-3-9(4-2-8)11-5-6-12-9/h3-10H2,1-2H3;8,10H,1-7H2.
What are the key properties of decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol?
decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol has a molecular weight of 314.51 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decane;1,4-dioxaspiro[4.5]decan-8-ylmethanol is sourced from PubChem (CID 162007927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).