1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one

C14H22O3 — CID 10966568

IUPAC1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
SMILESC=C1C(C)C2(CCC1(C)CC(C)=O)OCCO2
InChIInChI=1S/C14H22O3/c1-10(15)9-13(4)5-6-14(12(3)11(13)2)16-7-8-17-14/h12H,2,5-9H2,1,3-4H3
InChIKeyKKVDVSXVNUFSCP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.70
Rot. Bonds2

About 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one

1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one (PubChem CID 10966568) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one.

Molecular Properties

Compound Name1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
PubChem CID10966568
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
SMILESC=C1C(C)C2(CCC1(C)CC(C)=O)OCCO2
InChIInChI=1S/C14H22O3/c1-10(15)9-13(4)5-6-14(12(3)11(13)2)16-7-8-17-14/h12H,2,5-9H2,1,3-4H3
InChIKeyKKVDVSXVNUFSCP-UHFFFAOYSA-N
XLogP2.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
The IUPAC name of 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one (CID 10966568) is 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one.
What is the SMILES notation for 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
The canonical SMILES for 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one is C=C1C(C)C2(CCC1(C)CC(C)=O)OCCO2.
What is the InChIKey of 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
The InChIKey is KKVDVSXVNUFSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-10(15)9-13(4)5-6-14(12(3)11(13)2)16-7-8-17-14/h12H,2,5-9H2,1,3-4H3.
What are the key properties of 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one?
1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one has a molecular weight of 238.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dimethyl-7-methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one is sourced from PubChem (CID 10966568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).