2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane

C16H28O2 — CID 101288002

IUPAC2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane
SMILESC=C(CC/C(C)=C\CCC1(C)OCCO1)C(C)C
InChIInChI=1S/C16H28O2/c1-13(2)15(4)9-8-14(3)7-6-10-16(5)17-11-12-18-16/h7,13H,4,6,8-12H2,1-3,5H3/b14-7-
InChIKeyHIOCPYXMFIYLGR-AUWJEWJLSA-N
MW252.40 g/mol
LogP4.47
Rot. Bonds7

About 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane

2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane (PubChem CID 101288002) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane
PubChem CID101288002
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane
SMILESC=C(CC/C(C)=C\CCC1(C)OCCO1)C(C)C
InChIInChI=1S/C16H28O2/c1-13(2)15(4)9-8-14(3)7-6-10-16(5)17-11-12-18-16/h7,13H,4,6,8-12H2,1-3,5H3/b14-7-
InChIKeyHIOCPYXMFIYLGR-AUWJEWJLSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane (CID 101288002) is 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane is C=C(CC/C(C)=C\CCC1(C)OCCO1)C(C)C.
What is the InChIKey of 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane?
The InChIKey is HIOCPYXMFIYLGR-AUWJEWJLSA-N. The full InChI is InChI=1S/C16H28O2/c1-13(2)15(4)9-8-14(3)7-6-10-16(5)17-11-12-18-16/h7,13H,4,6,8-12H2,1-3,5H3/b14-7-.
What are the key properties of 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane?
2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane has a molecular weight of 252.40 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4,8-dimethyl-7-methylidenenon-3-enyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 101288002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).