6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene

C12H24O — CID 88943369

IUPAC6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene
SMILESC=C(C)C(CC(C)COC)C(C)C
InChIInChI=1S/C12H24O/c1-9(2)12(10(3)4)7-11(5)8-13-6/h10-12H,1,7-8H2,2-6H3
InChIKeyKEXVSRJZTIWQAV-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.51
Rot. Bonds6

About 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene

6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene (PubChem CID 88943369) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene.

Molecular Properties

Compound Name6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene
PubChem CID88943369
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene
SMILESC=C(C)C(CC(C)COC)C(C)C
InChIInChI=1S/C12H24O/c1-9(2)12(10(3)4)7-11(5)8-13-6/h10-12H,1,7-8H2,2-6H3
InChIKeyKEXVSRJZTIWQAV-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene?
The IUPAC name of 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene (CID 88943369) is 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene.
What is the SMILES notation for 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene?
The canonical SMILES for 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene is C=C(C)C(CC(C)COC)C(C)C.
What is the InChIKey of 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene?
The InChIKey is KEXVSRJZTIWQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9(2)12(10(3)4)7-11(5)8-13-6/h10-12H,1,7-8H2,2-6H3.
What are the key properties of 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene?
6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene has a molecular weight of 184.32 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,5-dimethyl-3-propan-2-ylhex-1-ene is sourced from PubChem (CID 88943369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).