2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane

C12H22O2 — CID 71384764

IUPAC2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane
SMILESCCCC1C(CC2OCCO2)C1(C)C
InChIInChI=1S/C12H22O2/c1-4-5-9-10(12(9,2)3)8-11-13-6-7-14-11/h9-11H,4-8H2,1-3H3
InChIKeyAFFLEUNTKYMQFT-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.82
Rot. Bonds4

About 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane

2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane (PubChem CID 71384764) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane
PubChem CID71384764
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane
SMILESCCCC1C(CC2OCCO2)C1(C)C
InChIInChI=1S/C12H22O2/c1-4-5-9-10(12(9,2)3)8-11-13-6-7-14-11/h9-11H,4-8H2,1-3H3
InChIKeyAFFLEUNTKYMQFT-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
1-methyl-2-propyl-4,7-dioxaspiro[2.4]heptane
CID 90470477
N-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]propan-1-amine
CID 141342670
3-ethyl-2-propyloxetan-3-ol
CID 22138124
2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822227
2-(3-bromopropyl)-1,3-dioxolane;2-butyl-1,3-dioxolane
CID 169430441
1,1-dimethyl-3-propylcyclobutane
CID 19073360
2-[3-(1,3-dioxolan-2-yl)propyl]-4,4-dimethyl-2-tridecyl-1,3-oxazolidine
CID 169439127
tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide
CID 22292430
2-amino-4-ethyl-1,4,6,6-tetramethyl-3-propylcyclooctan-1-ol
CID 123796456
(4R,5S)-5-chloro-4-methyl-2-propyloxan-4-ol
CID 130765140
propan-1-ol;1,1,3-trimethyl-2-propylcyclohexane
CID 67220237

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane?
The IUPAC name of 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane (CID 71384764) is 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane?
The canonical SMILES for 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane is CCCC1C(CC2OCCO2)C1(C)C.
What is the InChIKey of 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane?
The InChIKey is AFFLEUNTKYMQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-9-10(12(9,2)3)8-11-13-6-7-14-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane?
2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3-propylcyclopropyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 71384764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).