1-(hexoxymethyl)cyclopropene

C10H18O — CID 22621680

IUPAC1-(hexoxymethyl)cyclopropene
SMILESCCCCCCOCC1=CC1
InChIInChI=1S/C10H18O/c1-2-3-4-5-8-11-9-10-6-7-10/h6H,2-5,7-9H2,1H3
InChIKeyKBMLCJVSHCXOSZ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.91
Rot. Bonds7

About 1-(hexoxymethyl)cyclopropene

1-(hexoxymethyl)cyclopropene (PubChem CID 22621680) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(hexoxymethyl)cyclopropene.

Molecular Properties

Compound Name1-(hexoxymethyl)cyclopropene
PubChem CID22621680
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(hexoxymethyl)cyclopropene
SMILESCCCCCCOCC1=CC1
InChIInChI=1S/C10H18O/c1-2-3-4-5-8-11-9-10-6-7-10/h6H,2-5,7-9H2,1H3
InChIKeyKBMLCJVSHCXOSZ-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.91
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

2-Butene, 1-butoxy-3-methyl-
CID 551194
1-(3-Methylbut-2-enoxy)decane
CID 101441077
1-Cyclopropenylmethyl butyl ether
CID 86070273
1-Butoxy-2-methyl-2-butene (Z)-
CID 5366206
1-Butoxy-2-methyl-2-butene (E)-
CID 5366207
1-Butoxy-2-methylbut-2-ene
CID 551176
1-(3-Methylbut-2-enoxy)hexane
CID 12429442
1-(3-Methylbut-2-enoxy)nonane
CID 12429445
1-(2-Methyl-allyloxy)-hexane
CID 17792285
1-(3-Methylbut-2-enoxy)pentane
CID 21270352
3-Methylbut-2-enoxycyclohexane
CID 21270363
1-But-2-enoxyhexane
CID 53809238

Frequently Asked Questions

What is the IUPAC name of 1-(hexoxymethyl)cyclopropene?
The IUPAC name of 1-(hexoxymethyl)cyclopropene (CID 22621680) is 1-(hexoxymethyl)cyclopropene.
What is the SMILES notation for 1-(hexoxymethyl)cyclopropene?
The canonical SMILES for 1-(hexoxymethyl)cyclopropene is CCCCCCOCC1=CC1.
What is the InChIKey of 1-(hexoxymethyl)cyclopropene?
The InChIKey is KBMLCJVSHCXOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-2-3-4-5-8-11-9-10-6-7-10/h6H,2-5,7-9H2,1H3.
What are the key properties of 1-(hexoxymethyl)cyclopropene?
1-(hexoxymethyl)cyclopropene has a molecular weight of 154.25 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexoxymethyl)cyclopropene is sourced from PubChem (CID 22621680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).