8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one

C14H24O3 — CID 144891667

IUPAC8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one
SMILESC=C(C)C(=O)CCCCCC1COC(C)(C)O1
InChIInChI=1S/C14H24O3/c1-11(2)13(15)9-7-5-6-8-12-10-16-14(3,4)17-12/h12H,1,5-10H2,2-4H3
InChIKeyLQIJVLALFPTPRL-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.23
Rot. Bonds7

About 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one

8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one (PubChem CID 144891667) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one.

Molecular Properties

Compound Name8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one
PubChem CID144891667
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one
SMILESC=C(C)C(=O)CCCCCC1COC(C)(C)O1
InChIInChI=1S/C14H24O3/c1-11(2)13(15)9-7-5-6-8-12-10-16-14(3,4)17-12/h12H,1,5-10H2,2-4H3
InChIKeyLQIJVLALFPTPRL-UHFFFAOYSA-N
XLogP3.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one?
The IUPAC name of 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one (CID 144891667) is 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one.
What is the SMILES notation for 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one?
The canonical SMILES for 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one is C=C(C)C(=O)CCCCCC1COC(C)(C)O1.
What is the InChIKey of 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one?
The InChIKey is LQIJVLALFPTPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(2)13(15)9-7-5-6-8-12-10-16-14(3,4)17-12/h12H,1,5-10H2,2-4H3.
What are the key properties of 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one?
8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one has a molecular weight of 240.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyloct-1-en-3-one is sourced from PubChem (CID 144891667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).