3-but-3-enoxy-2,2-dimethylhexane

C12H24O — CID 91295867

IUPAC3-but-3-enoxy-2,2-dimethylhexane
SMILESC=CCCOC(CCC)C(C)(C)C
InChIInChI=1S/C12H24O/c1-6-8-10-13-11(9-7-2)12(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyRDHOPWGGPUCHON-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.79
Rot. Bonds6

About 3-but-3-enoxy-2,2-dimethylhexane

3-but-3-enoxy-2,2-dimethylhexane (PubChem CID 91295867) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-but-3-enoxy-2,2-dimethylhexane.

Molecular Properties

Compound Name3-but-3-enoxy-2,2-dimethylhexane
PubChem CID91295867
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-but-3-enoxy-2,2-dimethylhexane
SMILESC=CCCOC(CCC)C(C)(C)C
InChIInChI=1S/C12H24O/c1-6-8-10-13-11(9-7-2)12(3,4)5/h6,11H,1,7-10H2,2-5H3
InChIKeyRDHOPWGGPUCHON-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Ethenoxy-6-methylhept-1-ene
CID 101377740
2,5-Diethoxy-3-methyl-3-vinylhexane
CID 101607925
4-(3,3-Dimethylbutan-2-yloxy)cyclohexene
CID 19379319
4,6-Dimethoxy-5,5-dimethylhex-1-ene
CID 19985372
5-Methoxy-4,4,6-trimethylhept-1-ene
CID 23385172
5,5-Dimethyl-3-prop-2-enoxyhex-1-ene
CID 54483693
5-Ethoxy-4,4-bis(prop-2-enyl)octa-1,7-diene
CID 56639398
3-But-3-enoxyhexane
CID 57150903
4-(3,3-Dimethylbutoxy)cyclohexene
CID 57314537
(4S)-4-methoxy-3,3,5,5-tetramethylhex-1-ene
CID 58379718
(4R)-4-methoxy-3,3,5,5-tetramethylhex-1-ene
CID 58379727
(5R)-5-methoxy-4,4,6-trimethylhept-1-ene
CID 59039477

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxy-2,2-dimethylhexane?
The IUPAC name of 3-but-3-enoxy-2,2-dimethylhexane (CID 91295867) is 3-but-3-enoxy-2,2-dimethylhexane.
What is the SMILES notation for 3-but-3-enoxy-2,2-dimethylhexane?
The canonical SMILES for 3-but-3-enoxy-2,2-dimethylhexane is C=CCCOC(CCC)C(C)(C)C.
What is the InChIKey of 3-but-3-enoxy-2,2-dimethylhexane?
The InChIKey is RDHOPWGGPUCHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-6-8-10-13-11(9-7-2)12(3,4)5/h6,11H,1,7-10H2,2-5H3.
What are the key properties of 3-but-3-enoxy-2,2-dimethylhexane?
3-but-3-enoxy-2,2-dimethylhexane has a molecular weight of 184.32 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxy-2,2-dimethylhexane is sourced from PubChem (CID 91295867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).