(4R)-4-(3-methylbut-3-enyl)oxan-2-one

C10H16O2 — CID 102135669

IUPAC(4R)-4-(3-methylbut-3-enyl)oxan-2-one
SMILESC=C(C)CC[C@@H]1CCOC(=O)C1
InChIInChI=1S/C10H16O2/c1-8(2)3-4-9-5-6-12-10(11)7-9/h9H,1,3-7H2,2H3/t9-/m1/s1
InChIKeyJCFZFUWSBNRCGQ-SECBINFHSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About (4R)-4-(3-methylbut-3-enyl)oxan-2-one

(4R)-4-(3-methylbut-3-enyl)oxan-2-one (PubChem CID 102135669) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4R)-4-(3-methylbut-3-enyl)oxan-2-one.

Molecular Properties

Compound Name(4R)-4-(3-methylbut-3-enyl)oxan-2-one
PubChem CID102135669
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4R)-4-(3-methylbut-3-enyl)oxan-2-one
SMILESC=C(C)CC[C@@H]1CCOC(=O)C1
InChIInChI=1S/C10H16O2/c1-8(2)3-4-9-5-6-12-10(11)7-9/h9H,1,3-7H2,2H3/t9-/m1/s1
InChIKeyJCFZFUWSBNRCGQ-SECBINFHSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
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

3-(2-oxooxan-4-yl)propanoic acid
CID 177019128
1,8-bis(2-oxooxan-4-yl)octane-3,6-dione
CID 23431446
3-(3-methylbut-3-enyl)cyclobutan-1-one
CID 123834136
4-(sulfanylmethyl)oxan-2-one
CID 156711124
4-prop-2-enyloxan-2-one
CID 10558704
(3R,4R)-4-hydroxy-3-(3-methylbut-3-enyl)oxolan-2-one
CID 171934941
(6R)-3-methyl-6-(3-methylbut-3-enyl)oxan-2-one
CID 102182064
4-pentadecyloxepan-2-one
CID 132822140
3-(3-methylbut-3-enyl)oxan-4-one
CID 106468752
5-ethyloxepan-2-one
CID 11446392
1,9-bis(5-oxooxolan-3-yl)nonane-3,7-dione
CID 23431265
(5R)-5-butyloxepan-2-one
CID 71354172

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-methylbut-3-enyl)oxan-2-one?
The IUPAC name of (4R)-4-(3-methylbut-3-enyl)oxan-2-one (CID 102135669) is (4R)-4-(3-methylbut-3-enyl)oxan-2-one.
What is the SMILES notation for (4R)-4-(3-methylbut-3-enyl)oxan-2-one?
The canonical SMILES for (4R)-4-(3-methylbut-3-enyl)oxan-2-one is C=C(C)CC[C@@H]1CCOC(=O)C1.
What is the InChIKey of (4R)-4-(3-methylbut-3-enyl)oxan-2-one?
The InChIKey is JCFZFUWSBNRCGQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)3-4-9-5-6-12-10(11)7-9/h9H,1,3-7H2,2H3/t9-/m1/s1.
What are the key properties of (4R)-4-(3-methylbut-3-enyl)oxan-2-one?
(4R)-4-(3-methylbut-3-enyl)oxan-2-one has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-methylbut-3-enyl)oxan-2-one is sourced from PubChem (CID 102135669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).