ethene;1-prop-2-enoxypentane;hydrate

C10H22O2 — CID 174881313

IUPACethene;1-prop-2-enoxypentane;hydrate
SMILESC=C.C=CCOCCCCC.O
InChIInChI=1S/C8H16O.C2H4.H2O/c1-3-5-6-8-9-7-4-2;1-2;/h4H,2-3,5-8H2,1H3;1-2H2;1H2
InChIKeyCYKGKYZYJJXSPX-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.36
Rot. Bonds6

About ethene;1-prop-2-enoxypentane;hydrate

ethene;1-prop-2-enoxypentane;hydrate (PubChem CID 174881313) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is ethene;1-prop-2-enoxypentane;hydrate.

Molecular Properties

Compound Nameethene;1-prop-2-enoxypentane;hydrate
PubChem CID174881313
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Nameethene;1-prop-2-enoxypentane;hydrate
SMILESC=C.C=CCOCCCCC.O
InChIInChI=1S/C8H16O.C2H4.H2O/c1-3-5-6-8-9-7-4-2;1-2;/h4H,2-3,5-8H2,1H3;1-2H2;1H2
InChIKeyCYKGKYZYJJXSPX-UHFFFAOYSA-N
XLogP2.36
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.36
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

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CID 175164581
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CID 175269271
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CID 174234349
disodium;1-prop-2-enoxydodecane;sulfate
CID 173057156
ethene;1-octoxyoctane;hydrate
CID 174394810
buta-1,3-diene;1-pentoxypentane
CID 87924219
3-iodoprop-1-ene;1-pentoxypentane
CID 87527581
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577
methane;1-prop-2-enoxypropane
CID 157267338
azane;1-prop-2-enoxypropane
CID 87450499
methane;1-pentoxypentane;hydrate
CID 175598954
1-butoxybutane;1-butoxyhexane;ethane;ethene;methane
CID 162134079

Frequently Asked Questions

What is the IUPAC name of ethene;1-prop-2-enoxypentane;hydrate?
The IUPAC name of ethene;1-prop-2-enoxypentane;hydrate (CID 174881313) is ethene;1-prop-2-enoxypentane;hydrate.
What is the SMILES notation for ethene;1-prop-2-enoxypentane;hydrate?
The canonical SMILES for ethene;1-prop-2-enoxypentane;hydrate is C=C.C=CCOCCCCC.O.
What is the InChIKey of ethene;1-prop-2-enoxypentane;hydrate?
The InChIKey is CYKGKYZYJJXSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C2H4.H2O/c1-3-5-6-8-9-7-4-2;1-2;/h4H,2-3,5-8H2,1H3;1-2H2;1H2.
What are the key properties of ethene;1-prop-2-enoxypentane;hydrate?
ethene;1-prop-2-enoxypentane;hydrate has a molecular weight of 174.28 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-prop-2-enoxypentane;hydrate is sourced from PubChem (CID 174881313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).