(6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one

C12H18O3 — CID 10608520

IUPAC(6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESC=CC[C@@]1(C)C(=O)CCCC12OCCO2
InChIInChI=1S/C12H18O3/c1-3-6-11(2)10(13)5-4-7-12(11)14-8-9-15-12/h3H,1,4-9H2,2H3/t11-/m0/s1
InChIKeyZZGPKBLZRQSHNV-NSHDSACASA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds2

About (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one

(6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one (PubChem CID 10608520) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one
PubChem CID10608520
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one
SMILESC=CC[C@@]1(C)C(=O)CCCC12OCCO2
InChIInChI=1S/C12H18O3/c1-3-6-11(2)10(13)5-4-7-12(11)14-8-9-15-12/h3H,1,4-9H2,2H3/t11-/m0/s1
InChIKeyZZGPKBLZRQSHNV-NSHDSACASA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
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

6,6-Dimethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 10997717
Methyl 8-oxo-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 11118603
7-Methyl-7-prop-2-enyl-1,4-dioxaspiro[4.5]decan-8-one
CID 11672931
Ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10858014
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-3-en-1-one
CID 101140095
(9'aS)-6',9'a-dimethylspiro[1,3-dioxolane-2,1'-2,3,4,6,8,9-hexahydrobenzo[7]annulene]-7'-one
CID 135020574
6-Allyl-1,4-dioxa-spiro[4.5]decan-7-one
CID 567094
(4S)-4-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenecyclohexan-1-one
CID 10727164
(4'aR)-4'a-[(E)-prop-1-enyl]spiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 10800578
1,4-Dioxadispiro[4.0.56.55]hexadec-9-en-7-one
CID 10966504
1-(8-Vinyl-1,4-dioxaspiro[4.5]dec-8-yl)acetone
CID 11053303
7,10-Dioxadispiro[4.0.46.45]tetradec-2-en-4-one
CID 11095825

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one?
The IUPAC name of (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one (CID 10608520) is (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one is C=CC[C@@]1(C)C(=O)CCCC12OCCO2.
What is the InChIKey of (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one?
The InChIKey is ZZGPKBLZRQSHNV-NSHDSACASA-N. The full InChI is InChI=1S/C12H18O3/c1-3-6-11(2)10(13)5-4-7-12(11)14-8-9-15-12/h3H,1,4-9H2,2H3/t11-/m0/s1.
What are the key properties of (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one?
(6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one has a molecular weight of 210.27 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 10608520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).