4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane

C15H30O2 — CID 91277761

IUPAC4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
SMILESCCCCCCCC1OC(C)(C)OC1CCC
InChIInChI=1S/C15H30O2/c1-5-7-8-9-10-12-14-13(11-6-2)16-15(3,4)17-14/h13-14H,5-12H2,1-4H3
InChIKeyKVUVXSGDVRRIQJ-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.67
Rot. Bonds8

About 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane

4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane (PubChem CID 91277761) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane.

Molecular Properties

Compound Name4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
PubChem CID91277761
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane
SMILESCCCCCCCC1OC(C)(C)OC1CCC
InChIInChI=1S/C15H30O2/c1-5-7-8-9-10-12-14-13(11-6-2)16-15(3,4)17-14/h13-14H,5-12H2,1-4H3
InChIKeyKVUVXSGDVRRIQJ-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
(4R,5S)-4-(chloromethyl)-5-dodecyl-2,2-dimethyl-1,3-dioxolane
CID 11782144
(4S,5S)-4-ethenyl-5-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11020214
(4R,5R)-4-decyl-5-ethynyl-2,2-dimethyl-1,3-dioxolane
CID 10967466
(4S,5S)-4-azido-2,2-dimethyl-5-tetradecyl-1,3-dioxolane
CID 50899967
(4R,5S)-4-[5-(1,3-dithian-2-yl)pentyl]-2,2-dimethyl-5-octyl-1,3-dioxolane
CID 11761237
(E)-3-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 71812938
1-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-2-ol
CID 70643078
(4S,5R)-2,2-dimethyl-5-pentyl-1,3-dioxolane-4-carbaldehyde
CID 14238905
(E,3S)-1-[(4S,5S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]pent-1-en-3-ol
CID 25170830
2-[9-(2,2-dimethyl-5-pentyl-1,3-dioxolan-4-yl)nonyl]-4,4-dimethyl-1,3-dioxetane-2-carboxylic acid
CID 67840140
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane?
The IUPAC name of 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane (CID 91277761) is 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane.
What is the SMILES notation for 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane?
The canonical SMILES for 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane is CCCCCCCC1OC(C)(C)OC1CCC.
What is the InChIKey of 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane?
The InChIKey is KVUVXSGDVRRIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-7-8-9-10-12-14-13(11-6-2)16-15(3,4)17-14/h13-14H,5-12H2,1-4H3.
What are the key properties of 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane?
4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane has a molecular weight of 242.40 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-2,2-dimethyl-5-propyl-1,3-dioxolane is sourced from PubChem (CID 91277761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).