1,5-bis(ethenoxy)-3-methylpentane

C10H18O2 — CID 57158046

IUPAC1,5-bis(ethenoxy)-3-methylpentane
SMILESC=COCCC(C)CCOC=C
InChIInChI=1S/C10H18O2/c1-4-11-8-6-10(3)7-9-12-5-2/h4-5,10H,1-2,6-9H2,3H3
InChIKeyRJPKVNRKKZUKNN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.72
Rot. Bonds8

About 1,5-bis(ethenoxy)-3-methylpentane

1,5-bis(ethenoxy)-3-methylpentane (PubChem CID 57158046) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1,5-bis(ethenoxy)-3-methylpentane.

Molecular Properties

Compound Name1,5-bis(ethenoxy)-3-methylpentane
PubChem CID57158046
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1,5-bis(ethenoxy)-3-methylpentane
SMILESC=COCCC(C)CCOC=C
InChIInChI=1S/C10H18O2/c1-4-11-8-6-10(3)7-9-12-5-2/h4-5,10H,1-2,6-9H2,3H3
InChIKeyRJPKVNRKKZUKNN-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-Ethenoxy-5-methoxypentane
CID 88561847
(3S)-1-ethenoxy-3-methylpentane
CID 101919265
3-(Ethenoxymethyl)pentane
CID 12166569
3-Ethyl-1,5-dimethoxypentane
CID 15706809
Ethenoxyethene;3-methylpentane-1,5-diol
CID 19047938
1,5-Dimethoxy-3-methylpentane
CID 20571170
1-Ethenoxy-3-methylpentane
CID 20607526
CID 58871084
CID 58871084
CID 59117747
CID 59117747
1,5-Dimethoxy-3-(2-methoxyethyl)pentane
CID 59189108
5-Ethenoxy-3-methylpentan-1-ol
CID 85937849
3-Methyl-1,5-bis(2-methylprop-1-enoxy)pentane
CID 87658121

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(ethenoxy)-3-methylpentane?
The IUPAC name of 1,5-bis(ethenoxy)-3-methylpentane (CID 57158046) is 1,5-bis(ethenoxy)-3-methylpentane.
What is the SMILES notation for 1,5-bis(ethenoxy)-3-methylpentane?
The canonical SMILES for 1,5-bis(ethenoxy)-3-methylpentane is C=COCCC(C)CCOC=C.
What is the InChIKey of 1,5-bis(ethenoxy)-3-methylpentane?
The InChIKey is RJPKVNRKKZUKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-11-8-6-10(3)7-9-12-5-2/h4-5,10H,1-2,6-9H2,3H3.
What are the key properties of 1,5-bis(ethenoxy)-3-methylpentane?
1,5-bis(ethenoxy)-3-methylpentane has a molecular weight of 170.25 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(ethenoxy)-3-methylpentane is sourced from PubChem (CID 57158046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).