(2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one

C14H20O2 — CID 11975686

IUPAC(2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one
SMILESCC(C)[C@H]1O[C@@]2(C=CC1=O)CC=CCCC2
InChIInChI=1S/C14H20O2/c1-11(2)13-12(15)7-10-14(16-13)8-5-3-4-6-9-14/h3,5,7,10-11,13H,4,6,8-9H2,1-2H3/t13-,14+/m1/s1
InChIKeyYWBGOHBBCHVOMN-KGLIPLIRSA-N
MW220.31 g/mol
LogP3.04
Rot. Bonds1

About (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one

(2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one (PubChem CID 11975686) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one.

Molecular Properties

Compound Name(2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one
PubChem CID11975686
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one
SMILESCC(C)[C@H]1O[C@@]2(C=CC1=O)CC=CCCC2
InChIInChI=1S/C14H20O2/c1-11(2)13-12(15)7-10-14(16-13)8-5-3-4-6-9-14/h3,5,7,10-11,13H,4,6,8-9H2,1-2H3/t13-,14+/m1/s1
InChIKeyYWBGOHBBCHVOMN-KGLIPLIRSA-N
XLogP3.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Kcg 1
CID 126411
2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 14802850
2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 44351568
(2R,6S)-6-methyl-2-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 15038122
4-Methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
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3-(5-Methoxy-4-oxocyclohex-2-en-1-yl)prop-2-enyl acetate
CID 90725405
(2R)-3-methyl-2-[(4E,6E)-2-methyl-3-oxoocta-4,6-dienyl]-2H-pyran-5-one
CID 134864916
Bicyclo[3.2.2]nona-3,6-dien-2-one, 1-methoxy-
CID 572732
1-(6-Methyl-2,5-dihydropyran-6-yl)pent-4-en-1-one
CID 10607470
(2R)-2-[(2R,4E,6E)-2-methyl-3-oxoocta-4,6-dienyl]-2H-pyran-5-one
CID 15727107
(6R)-6-(2-methyl-3-oxobutyl)-2H-pyran-5-one
CID 15747722
(1R,5R)-1-methoxybicyclo[3.2.2]nona-3,6-dien-2-one
CID 130906183

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one?
The IUPAC name of (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one (CID 11975686) is (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one.
What is the SMILES notation for (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one?
The canonical SMILES for (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one is CC(C)[C@H]1O[C@@]2(C=CC1=O)CC=CCCC2.
What is the InChIKey of (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one?
The InChIKey is YWBGOHBBCHVOMN-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)13-12(15)7-10-14(16-13)8-5-3-4-6-9-14/h3,5,7,10-11,13H,4,6,8-9H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one?
(2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one has a molecular weight of 220.31 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-propan-2-yl-1-oxaspiro[5.6]dodeca-4,8-dien-3-one is sourced from PubChem (CID 11975686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).