4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one

C10H14O2 — CID 557545

IUPAC4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one
SMILESC=C(C)C(=C)CC1COC(=O)C1
InChIInChI=1S/C10H14O2/c1-7(2)8(3)4-9-5-10(11)12-6-9/h9H,1,3-6H2,2H3
InChIKeyIVUUQTFVQVIUGD-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.07
Rot. Bonds3

About 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one

4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one (PubChem CID 557545) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one.

Molecular Properties

Compound Name4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one
PubChem CID557545
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one
SMILESC=C(C)C(=C)CC1COC(=O)C1
InChIInChI=1S/C10H14O2/c1-7(2)8(3)4-9-5-10(11)12-6-9/h9H,1,3-6H2,2H3
InChIKeyIVUUQTFVQVIUGD-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 4-methylidenecyclohexane-1-carboxylate
CID 15151435
(2-Methyl-2-propenyl)succinic Anhydride
CID 225375
Methyl 3-methylidenecyclohexane-1-carboxylate
CID 85855833
Methyl 2-methyl-4-methylenecyclopentanecarboxylate
CID 565539
Ethyl (2-methylidenecyclohexyl)acetate
CID 12679490
2,5-Furandione, dihydro-3-(tetraisobutenyl)-
CID 3085493
Butyl (3S)-3-methyl-7-octenoate
CID 46910864
Ethyl 2-(4-methylenecyclohexyl)acetate
CID 11095257
Methyl 2-(2-methylidenecyclopentyl)acetate
CID 11116269
Ethyl 3-methylidenecyclohexane-1-carboxylate
CID 11819423
3-Butyl-5-methylideneoxolan-2-one
CID 13351021
trans-methyl (1S,2S)-2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 121340241

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one?
The IUPAC name of 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one (CID 557545) is 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one.
What is the SMILES notation for 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one?
The canonical SMILES for 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one is C=C(C)C(=C)CC1COC(=O)C1.
What is the InChIKey of 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one?
The InChIKey is IVUUQTFVQVIUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(2)8(3)4-9-5-10(11)12-6-9/h9H,1,3-6H2,2H3.
What are the key properties of 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one?
4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one has a molecular weight of 166.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2-methylidenebut-3-enyl)oxolan-2-one is sourced from PubChem (CID 557545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).