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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Related Compounds

7'a-Methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydroindene]-1'-one
CID 13033855
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-3-en-1-one
CID 101140095
Delta^4^-7,7-ethylenedioxy-10-methyl-octal-1-one
CID 11183650
(8'aS)-8'a-methylspiro[1,3-dioxolane-2,6'-3,5,7,8-tetrahydro-2H-naphthalene]-1'-one
CID 12564303
7'a-Methylspiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindene]-2'-one
CID 134838852
(4bS,8S,10aR)-4b,8,10a-trimethylspiro[1,2,5,6,8,10-hexahydrophenanthrene-7,2'-1,3-dioxolane]-3-one
CID 134839539
4'a-methylspiro[1,3-dioxolane-2,7'-4,5,6,8-tetrahydro-3H-naphthalene]-2'-one
CID 134859275
(9'aS)-6',9'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,4,6,8,9-hexahydrobenzo[7]annulene]-7'-one
CID 135020574
1-(7-Methylidene-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-one
CID 135084121
(7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydroindene]-1'-one
CID 145994538
(4S)-4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenecyclohexan-1-one
CID 10727164
1-(8-Vinyl-1,4-dioxaspiro[4.5]dec-8-yl)acetone
CID 11053303

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).