1-(2-methylprop-1-enoxy)heptane

C11H22O — CID 22234809

IUPAC1-(2-methylprop-1-enoxy)heptane
SMILESCCCCCCCOC=C(C)C
InChIInChI=1S/C11H22O/c1-4-5-6-7-8-9-12-10-11(2)3/h10H,4-9H2,1-3H3
InChIKeyMYXFZWBIVHVROP-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.90
Rot. Bonds7

About 1-(2-methylprop-1-enoxy)heptane

1-(2-methylprop-1-enoxy)heptane (PubChem CID 22234809) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-(2-methylprop-1-enoxy)heptane.

Molecular Properties

Compound Name1-(2-methylprop-1-enoxy)heptane
PubChem CID22234809
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name1-(2-methylprop-1-enoxy)heptane
SMILESCCCCCCCOC=C(C)C
InChIInChI=1S/C11H22O/c1-4-5-6-7-8-9-12-10-11(2)3/h10H,4-9H2,1-3H3
InChIKeyMYXFZWBIVHVROP-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentoxyprop-1-en-2-ol
CID 173004017
1-(3-methyl-2-propan-2-ylbut-1-enoxy)decane
CID 150995067
1-(2-ethylhex-1-enoxy)decane
CID 166758323
2,2-dimethoxy-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
CID 150210042
1-(2-methylprop-1-enoxy)-3-[tri(propan-2-yloxy)methyl]undecane
CID 152505877
2-methoxy-2-methyl-3-[2-(2-methylprop-1-enoxy)ethyl]undecane
CID 150933337
[2-hydroxy-5-(2-methylprop-1-enoxy)pentyl] decanoate
CID 151423371
1-[(E)-1-hexoxyprop-1-en-2-yl]-4-methylbenzene
CID 146277990
1-ethenoxytriacontane
CID 14647805
hexacosyl formate
CID 87446465
trimethyl-[3-(2-methylprop-1-enoxy)propyl]azanium chloride
CID 172695546
2-(2-methylprop-1-enoxy)ethylphosphane
CID 151289257

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enoxy)heptane?
The IUPAC name of 1-(2-methylprop-1-enoxy)heptane (CID 22234809) is 1-(2-methylprop-1-enoxy)heptane.
What is the SMILES notation for 1-(2-methylprop-1-enoxy)heptane?
The canonical SMILES for 1-(2-methylprop-1-enoxy)heptane is CCCCCCCOC=C(C)C.
What is the InChIKey of 1-(2-methylprop-1-enoxy)heptane?
The InChIKey is MYXFZWBIVHVROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-5-6-7-8-9-12-10-11(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 1-(2-methylprop-1-enoxy)heptane?
1-(2-methylprop-1-enoxy)heptane has a molecular weight of 170.30 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enoxy)heptane is sourced from PubChem (CID 22234809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).