2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane

C17H26O2 — CID 134900981

IUPAC2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane
SMILESC=C1CCC=C1[C@H]1[C@@H](CCC2(C)OCCO2)C1(C)C
InChIInChI=1S/C17H26O2/c1-12-6-5-7-13(12)15-14(16(15,2)3)8-9-17(4)18-10-11-19-17/h7,14-15H,1,5-6,8-11H2,2-4H3/t14-,15+/m1/s1
InChIKeyCOUWGYVBSOICGD-CABCVRRESA-N
MW262.39 g/mol
LogP4.08
Rot. Bonds4

About 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane

2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane (PubChem CID 134900981) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane
PubChem CID134900981
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane
SMILESC=C1CCC=C1[C@H]1[C@@H](CCC2(C)OCCO2)C1(C)C
InChIInChI=1S/C17H26O2/c1-12-6-5-7-13(12)15-14(16(15,2)3)8-9-17(4)18-10-11-19-17/h7,14-15H,1,5-6,8-11H2,2-4H3/t14-,15+/m1/s1
InChIKeyCOUWGYVBSOICGD-CABCVRRESA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
8a-Methylspiro[1,2,4,5,7,8-hexahydroazulene-6,2'-1,3-dioxolane]
CID 25058445
1,3-Dioxolane, 2-methyl-2-(3,7,7-trimethylbicyclo(4.1.0)hept-3-en-2-yl)-
CID 111400
2-[(3E,7E)-10-[(1R,3S)-3-(dimethoxymethyl)-2,2-dimethylcyclopropyl]-4,8-dimethyldeca-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 134886714
2-[2-[2,2-Dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane
CID 134982650
(6R,11R)-7,11-dimethyl-1,4-dioxadispiro[4.0.56.35]tetradec-7-ene
CID 135036827
2-[(6S,7aS,7bS)-5,5,7b-trimethyl-2,6,7,7a-tetrahydro-1H-cyclobuta[e]inden-6-yl]-2-methyl-1,3-dioxolane
CID 154720140
2-(4,8-Dimethyl-7-nonen-1-yl)-2,4-dimethyl-1,3-dioxolane
CID 3800072
2-Methyl-2-[2-(2,6,6-trimethylcyclohex-2-enyl)ethyl][1,3]dioxolane
CID 560211
2-[2-(5-Ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane
CID 90905000
4'-Methylspiro[1,3-dioxolane-2,11'-tricyclo[6.4.0.01,3]dodeca-5,7-diene]
CID 141778553
8-(2-Methylbutan-2-yl)-3-propyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 141798590

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane (CID 134900981) is 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane is C=C1CCC=C1[C@H]1[C@@H](CCC2(C)OCCO2)C1(C)C.
What is the InChIKey of 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane?
The InChIKey is COUWGYVBSOICGD-CABCVRRESA-N. The full InChI is InChI=1S/C17H26O2/c1-12-6-5-7-13(12)15-14(16(15,2)3)8-9-17(4)18-10-11-19-17/h7,14-15H,1,5-6,8-11H2,2-4H3/t14-,15+/m1/s1.
What are the key properties of 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane?
2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane has a molecular weight of 262.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 134900981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).