2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane

C15H28O4 — CID 13347477

IUPAC2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
SMILESCCCCCC(CC1(C)OCCO1)C1(C)OCCO1
InChIInChI=1S/C15H28O4/c1-4-5-6-7-13(15(3)18-10-11-19-15)12-14(2)16-8-9-17-14/h13H,4-12H2,1-3H3
InChIKeyRQHRSYDRISVFLS-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.10
Rot. Bonds7

About 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane

2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane (PubChem CID 13347477) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
PubChem CID13347477
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
SMILESCCCCCC(CC1(C)OCCO1)C1(C)OCCO1
InChIInChI=1S/C15H28O4/c1-4-5-6-7-13(15(3)18-10-11-19-15)12-14(2)16-8-9-17-14/h13H,4-12H2,1-3H3
InChIKeyRQHRSYDRISVFLS-UHFFFAOYSA-N
XLogP3.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
2-[(2R)-5-iodo-2-methylpentyl]-2-methyl-1,3-dioxolane
CID 10990159
2-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol
CID 59735081
2-octadecan-4-yloxetan-2-amine;hydrochloride
CID 173398380
diethyl 2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propanedioate
CID 131876842
2-[(2-methyl-1,3-dioxolan-2-yl)methyl]propane-1,3-diol
CID 86098194
2-octan-3-yl-2-[(2-octan-3-yloxiran-2-yl)methoxymethyl]oxirane
CID 87059632
4-methyl-4-nonan-3-yl-1,3,2-dioxathietane 2,2-dioxide
CID 140569211
2-(2-pentadecyloctadecyl)oxetan-2-ol
CID 69327091
1-fluoro-1-tridecan-7-ylcyclopropane
CID 166909340
3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
CID 71381727
2-methyl-2-pentyloxirane
CID 559073

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane (CID 13347477) is 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane is CCCCCC(CC1(C)OCCO1)C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane?
The InChIKey is RQHRSYDRISVFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-4-5-6-7-13(15(3)18-10-11-19-15)12-14(2)16-8-9-17-14/h13H,4-12H2,1-3H3.
What are the key properties of 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane?
2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane has a molecular weight of 272.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-(2-methyl-1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 13347477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).