(5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one

C10H16O2 — CID 45096380

IUPAC(5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one
SMILESCC(C)C1CC/C=C\C(=O)CO1
InChIInChI=1S/C10H16O2/c1-8(2)10-6-4-3-5-9(11)7-12-10/h3,5,8,10H,4,6-7H2,1-2H3/b5-3-
InChIKeyJJYMSSVXGSDCPN-HYXAFXHYSA-N
MW168.24 g/mol
LogP1.95
Rot. Bonds1

About (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one

(5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one (PubChem CID 45096380) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one.

Molecular Properties

Compound Name(5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one
PubChem CID45096380
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one
SMILESCC(C)C1CC/C=C\C(=O)CO1
InChIInChI=1S/C10H16O2/c1-8(2)10-6-4-3-5-9(11)7-12-10/h3,5,8,10H,4,6-7H2,1-2H3/b5-3-
InChIKeyJJYMSSVXGSDCPN-HYXAFXHYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-[(2S)-butan-2-yl]cyclohex-2-en-1-one
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4-methylidene-2-propan-2-yloxolane
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(4S)-4-propan-2-yloxetan-2-one
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(7E,19E)-1,4-dioxacyclodocosa-7,19-diene-6,21-dione;(8E,20E)-1,6-dioxacyclodocosa-8,20-diene-7,22-dione;(12E,20E)-1,10-dioxacyclodocosa-12,20-diene-11,22-dione;(12E,24E)-1,10-dioxacyclohexacosa-12,24-diene-11,26-dione;(7E,15E)-1,4-dioxacyclooctadeca-7,15-diene-6,17-dione;(8E,16E)-1,6-dioxacyclooctadeca-8,16-diene-7,18-dione;(12E,20E)-16-methyl-1,4,7,10-tetraoxacyclodocosa-12,20-diene-11,22-dione;(12E,20E)-1,4,7,10-tetraoxacyclodocosa-12,20-diene-11,22-dione;(12E,18E)-1,4,7,10-tetraoxacycloicosa-12,18-diene-11,20-dione;(12E,17E)-1,4,7,10-tetraoxacyclononadeca-12,17-diene-11,19-dione
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3-propan-2-yl-3,4-dihydro-1H-isochromene
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(4S,6R)-4,6-di(propan-2-yl)-1,3-dioxan-2-one
CID 59787451
2,6-di(propan-2-yl)oxane
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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one?
The IUPAC name of (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one (CID 45096380) is (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one.
What is the SMILES notation for (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one?
The canonical SMILES for (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one is CC(C)C1CC/C=C\C(=O)CO1.
What is the InChIKey of (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one?
The InChIKey is JJYMSSVXGSDCPN-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)10-6-4-3-5-9(11)7-12-10/h3,5,8,10H,4,6-7H2,1-2H3/b5-3-.
What are the key properties of (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one?
(5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one has a molecular weight of 168.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one is sourced from PubChem (CID 45096380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).