2-methyl-7-prop-2-enoxyhept-2-ene

C11H20O — CID 174363106

IUPAC2-methyl-7-prop-2-enoxyhept-2-ene
SMILESC=CCOCCCCC=C(C)C
InChIInChI=1S/C11H20O/c1-4-9-12-10-7-5-6-8-11(2)3/h4,8H,1,5-7,9-10H2,2-3H3
InChIKeyIYHBHNFZFFLSTN-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.33
Rot. Bonds7

About 2-methyl-7-prop-2-enoxyhept-2-ene

2-methyl-7-prop-2-enoxyhept-2-ene (PubChem CID 174363106) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-7-prop-2-enoxyhept-2-ene.

Molecular Properties

Compound Name2-methyl-7-prop-2-enoxyhept-2-ene
PubChem CID174363106
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-methyl-7-prop-2-enoxyhept-2-ene
SMILESC=CCOCCCCC=C(C)C
InChIInChI=1S/C11H20O/c1-4-9-12-10-7-5-6-8-11(2)3/h4,8H,1,5-7,9-10H2,2-3H3
InChIKeyIYHBHNFZFFLSTN-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.33
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

1-(3-methylbut-2-enoxy)-5-prop-2-enoxypentane
CID 11218120
1-hept-6-enoxy-3,7-dimethylocta-2,6-diene
CID 90808858
3-methyl-1-prop-2-enoxybut-2-ene
CID 11366991
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
1-prop-2-enoxypentane;zirconium
CID 175164581
4-(4-prop-2-enoxybutoxy)butan-1-ol
CID 87308231
1-(3,7-dimethylocta-2,6-dienoxy)hexadecane
CID 72752481
ethene;1-prop-2-enoxypentane;hydrate
CID 174881313
formic acid;1-prop-2-enoxypentane
CID 174234349
6-methoxy-2-methylhex-2-ene
CID 59087760
N-methyl-4-prop-2-enoxybutan-1-amine
CID 62442443
3-prop-2-enoxypropan-1-olate
CID 58860427

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-prop-2-enoxyhept-2-ene?
The IUPAC name of 2-methyl-7-prop-2-enoxyhept-2-ene (CID 174363106) is 2-methyl-7-prop-2-enoxyhept-2-ene.
What is the SMILES notation for 2-methyl-7-prop-2-enoxyhept-2-ene?
The canonical SMILES for 2-methyl-7-prop-2-enoxyhept-2-ene is C=CCOCCCCC=C(C)C.
What is the InChIKey of 2-methyl-7-prop-2-enoxyhept-2-ene?
The InChIKey is IYHBHNFZFFLSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-9-12-10-7-5-6-8-11(2)3/h4,8H,1,5-7,9-10H2,2-3H3.
What are the key properties of 2-methyl-7-prop-2-enoxyhept-2-ene?
2-methyl-7-prop-2-enoxyhept-2-ene has a molecular weight of 168.28 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-prop-2-enoxyhept-2-ene is sourced from PubChem (CID 174363106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).