2-pentyl-1,4-dioxaspiro[2.2]pentane

C8H14O2 — CID 56981326

IUPAC2-pentyl-1,4-dioxaspiro[2.2]pentane
SMILESCCCCCC1OC12CO2
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7-8(10-7)6-9-8/h7H,2-6H2,1H3
InChIKeyMTMPWNNZMSLRQD-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.69
Rot. Bonds4

About 2-pentyl-1,4-dioxaspiro[2.2]pentane

2-pentyl-1,4-dioxaspiro[2.2]pentane (PubChem CID 56981326) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-pentyl-1,4-dioxaspiro[2.2]pentane.

Molecular Properties

Compound Name2-pentyl-1,4-dioxaspiro[2.2]pentane
PubChem CID56981326
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-pentyl-1,4-dioxaspiro[2.2]pentane
SMILESCCCCCC1OC12CO2
InChIInChI=1S/C8H14O2/c1-2-3-4-5-7-8(10-7)6-9-8/h7H,2-6H2,1H3
InChIKeyMTMPWNNZMSLRQD-UHFFFAOYSA-N
XLogP1.69
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dioctyl-1,4-dioxaspiro[2.2]pentane
CID 22957637
3-hexadecyloxirane-2,2-diol
CID 18949694
(3-hexyl-2-methyloxiran-2-yl)methanol
CID 86024137
3-heptyl-2-methyloxiran-2-amine
CID 74220849
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
[(2S,3S)-2-chloro-3-hexyloxiran-2-yl]-trimethylsilane
CID 11128263
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
3-octyloxirane-2,2-dicarbonitrile
CID 11241199
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
CID 91277761
3-[(4R,6S)-2,2-dimethyl-6-pentyl-1,3-dioxan-4-yl]propan-1-ol
CID 134858700

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-1,4-dioxaspiro[2.2]pentane?
The IUPAC name of 2-pentyl-1,4-dioxaspiro[2.2]pentane (CID 56981326) is 2-pentyl-1,4-dioxaspiro[2.2]pentane.
What is the SMILES notation for 2-pentyl-1,4-dioxaspiro[2.2]pentane?
The canonical SMILES for 2-pentyl-1,4-dioxaspiro[2.2]pentane is CCCCCC1OC12CO2.
What is the InChIKey of 2-pentyl-1,4-dioxaspiro[2.2]pentane?
The InChIKey is MTMPWNNZMSLRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-5-7-8(10-7)6-9-8/h7H,2-6H2,1H3.
What are the key properties of 2-pentyl-1,4-dioxaspiro[2.2]pentane?
2-pentyl-1,4-dioxaspiro[2.2]pentane has a molecular weight of 142.20 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-1,4-dioxaspiro[2.2]pentane is sourced from PubChem (CID 56981326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).