2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane

C15H22O2 — CID 75079307

IUPAC2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane
SMILESC#CC=C1CCCCC1CCC1(C)OCCO1
InChIInChI=1S/C15H22O2/c1-3-6-13-7-4-5-8-14(13)9-10-15(2)16-11-12-17-15/h1,6,14H,4-5,7-12H2,2H3
InChIKeyOGHKYDCVSSEKTH-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.28
Rot. Bonds3

About 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane

2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane (PubChem CID 75079307) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane
PubChem CID75079307
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane
SMILESC#CC=C1CCCCC1CCC1(C)OCCO1
InChIInChI=1S/C15H22O2/c1-3-6-13-7-4-5-8-14(13)9-10-15(2)16-11-12-17-15/h1,6,14H,4-5,7-12H2,2H3
InChIKeyOGHKYDCVSSEKTH-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane (CID 75079307) is 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane is C#CC=C1CCCCC1CCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane?
The InChIKey is OGHKYDCVSSEKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-3-6-13-7-4-5-8-14(13)9-10-15(2)16-11-12-17-15/h1,6,14H,4-5,7-12H2,2H3.
What are the key properties of 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane?
2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane has a molecular weight of 234.34 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-prop-2-ynylidenecyclohexyl)ethyl]-1,3-dioxolane is sourced from PubChem (CID 75079307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).