2,2-dimethyl-4-non-8-enyl-1,3-dioxole

C14H24O2 — CID 141237436

IUPAC2,2-dimethyl-4-non-8-enyl-1,3-dioxole
SMILESC=CCCCCCCCC1=COC(C)(C)O1
InChIInChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-13-12-15-14(2,3)16-13/h4,12H,1,5-11H2,2-3H3
InChIKeyNHEMQHCWXYSLKC-UHFFFAOYSA-N
MW224.34 g/mol
LogP4.53
Rot. Bonds8

About 2,2-dimethyl-4-non-8-enyl-1,3-dioxole

2,2-dimethyl-4-non-8-enyl-1,3-dioxole (PubChem CID 141237436) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,2-dimethyl-4-non-8-enyl-1,3-dioxole.

Molecular Properties

Compound Name2,2-dimethyl-4-non-8-enyl-1,3-dioxole
PubChem CID141237436
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,2-dimethyl-4-non-8-enyl-1,3-dioxole
SMILESC=CCCCCCCCC1=COC(C)(C)O1
InChIInChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-13-12-15-14(2,3)16-13/h4,12H,1,5-11H2,2-3H3
InChIKeyNHEMQHCWXYSLKC-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Decenal diethyl acetal
CID 86584457
4(5-Hexenyl)-2,2-dimethyl-1,3-dioxolane
CID 11458097
Non-8-en-2-one ethylene ketal
CID 25186484
(13-Ethoxy-13-methoxytridec-1-enyl) hypofluorite
CID 177718596
1-Undecene, 11,11-diethoxy-
CID 568604
(2R)-2-decoxy-3,4-dihydro-2H-pyran
CID 165618892
2-[(E)-10-methoxydec-9-enyl]-2-methyl-1,3-dioxolane
CID 13215973
5-hexyl-2,2-dimethoxy-3H-furan
CID 13308236
1,6-Dioxaspiro[4.5]dec-7-ene
CID 14321881
2-Hexyl-2-prop-2-enyl-1,3-dioxolane
CID 134971657
11-(Methoxymethoxy)undec-1-ene
CID 10987639
10-(1-Ethoxyethoxy)dec-1-ene
CID 12962826

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-non-8-enyl-1,3-dioxole?
The IUPAC name of 2,2-dimethyl-4-non-8-enyl-1,3-dioxole (CID 141237436) is 2,2-dimethyl-4-non-8-enyl-1,3-dioxole.
What is the SMILES notation for 2,2-dimethyl-4-non-8-enyl-1,3-dioxole?
The canonical SMILES for 2,2-dimethyl-4-non-8-enyl-1,3-dioxole is C=CCCCCCCCC1=COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-non-8-enyl-1,3-dioxole?
The InChIKey is NHEMQHCWXYSLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-5-6-7-8-9-10-11-13-12-15-14(2,3)16-13/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-non-8-enyl-1,3-dioxole?
2,2-dimethyl-4-non-8-enyl-1,3-dioxole has a molecular weight of 224.34 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-non-8-enyl-1,3-dioxole is sourced from PubChem (CID 141237436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).