4,4-dipentyl-1,2-dioxaspiro[2.5]octane

C16H30O2 — CID 142683527

IUPAC4,4-dipentyl-1,2-dioxaspiro[2.5]octane
SMILESCCCCCC1(CCCCC)CCCCC12OO2
InChIInChI=1S/C16H30O2/c1-3-5-7-11-15(12-8-6-4-2)13-9-10-14-16(15)17-18-16/h3-14H2,1-2H3
InChIKeyRWPIWNGZJVRBCR-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.37
Rot. Bonds8

About 4,4-dipentyl-1,2-dioxaspiro[2.5]octane

4,4-dipentyl-1,2-dioxaspiro[2.5]octane (PubChem CID 142683527) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 4,4-dipentyl-1,2-dioxaspiro[2.5]octane.

Molecular Properties

Compound Name4,4-dipentyl-1,2-dioxaspiro[2.5]octane
PubChem CID142683527
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name4,4-dipentyl-1,2-dioxaspiro[2.5]octane
SMILESCCCCCC1(CCCCC)CCCCC12OO2
InChIInChI=1S/C16H30O2/c1-3-5-7-11-15(12-8-6-4-2)13-9-10-14-16(15)17-18-16/h3-14H2,1-2H3
InChIKeyRWPIWNGZJVRBCR-UHFFFAOYSA-N
XLogP5.37
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2-tetra(pentadecyl)cyclohexane
CID 175058240
1,1,2,2-tetra(undecyl)cyclopentane
CID 18757655
1,1-dioctylcyclopentane
CID 54295272
1,1-dipentylcyclononane
CID 169026027
1,1-dihexadecylcyclopentane
CID 141255150
1,1-di(nonyl)cyclopentane
CID 154318487
1-methyl-1-undecylcyclohexane
CID 86137257
1-chloro-1-hexylcyclohexane
CID 57072771
3,3,6,6,9,9-hexapentyl-1,2,4,5,7,8-hexaoxonane
CID 10745423
1-octadecylcyclohexan-1-ol
CID 67204292
1-hexadecylcyclohexane-1-thiol
CID 165176793
(1-pentylcyclopentyl)methanamine
CID 62725889

Frequently Asked Questions

What is the IUPAC name of 4,4-dipentyl-1,2-dioxaspiro[2.5]octane?
The IUPAC name of 4,4-dipentyl-1,2-dioxaspiro[2.5]octane (CID 142683527) is 4,4-dipentyl-1,2-dioxaspiro[2.5]octane.
What is the SMILES notation for 4,4-dipentyl-1,2-dioxaspiro[2.5]octane?
The canonical SMILES for 4,4-dipentyl-1,2-dioxaspiro[2.5]octane is CCCCCC1(CCCCC)CCCCC12OO2.
What is the InChIKey of 4,4-dipentyl-1,2-dioxaspiro[2.5]octane?
The InChIKey is RWPIWNGZJVRBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-7-11-15(12-8-6-4-2)13-9-10-14-16(15)17-18-16/h3-14H2,1-2H3.
What are the key properties of 4,4-dipentyl-1,2-dioxaspiro[2.5]octane?
4,4-dipentyl-1,2-dioxaspiro[2.5]octane has a molecular weight of 254.41 g/mol, XLogP of 5.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dipentyl-1,2-dioxaspiro[2.5]octane is sourced from PubChem (CID 142683527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).