3,3-dimethyl-1-pent-2-en-3-yloxybutane

C11H22O — CID 57190083

IUPAC3,3-dimethyl-1-pent-2-en-3-yloxybutane
SMILESCC=C(CC)OCCC(C)(C)C
InChIInChI=1S/C11H22O/c1-6-10(7-2)12-9-8-11(3,4)5/h6H,7-9H2,1-5H3
InChIKeyCJVBNHIVMRDBRC-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.75
Rot. Bonds4

About 3,3-dimethyl-1-pent-2-en-3-yloxybutane

3,3-dimethyl-1-pent-2-en-3-yloxybutane (PubChem CID 57190083) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-pent-2-en-3-yloxybutane.

Molecular Properties

Compound Name3,3-dimethyl-1-pent-2-en-3-yloxybutane
PubChem CID57190083
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3,3-dimethyl-1-pent-2-en-3-yloxybutane
SMILESCC=C(CC)OCCC(C)(C)C
InChIInChI=1S/C11H22O/c1-6-10(7-2)12-9-8-11(3,4)5/h6H,7-9H2,1-5H3
InChIKeyCJVBNHIVMRDBRC-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pent-2-en-3-yloxybutane?
The IUPAC name of 3,3-dimethyl-1-pent-2-en-3-yloxybutane (CID 57190083) is 3,3-dimethyl-1-pent-2-en-3-yloxybutane.
What is the SMILES notation for 3,3-dimethyl-1-pent-2-en-3-yloxybutane?
The canonical SMILES for 3,3-dimethyl-1-pent-2-en-3-yloxybutane is CC=C(CC)OCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-pent-2-en-3-yloxybutane?
The InChIKey is CJVBNHIVMRDBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-6-10(7-2)12-9-8-11(3,4)5/h6H,7-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-pent-2-en-3-yloxybutane?
3,3-dimethyl-1-pent-2-en-3-yloxybutane has a molecular weight of 170.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-pent-2-en-3-yloxybutane is sourced from PubChem (CID 57190083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).