1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane

C14H28O2 — CID 88908375

IUPAC1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane
SMILESC=C(C)OCCCCCCOC(CC)CC
InChIInChI=1S/C14H28O2/c1-5-14(6-2)16-12-10-8-7-9-11-15-13(3)4/h14H,3,5-12H2,1-2,4H3
InChIKeyRAZDKDRVFJHFDA-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.30
Rot. Bonds11

About 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane

1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane (PubChem CID 88908375) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane.

Molecular Properties

Compound Name1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane
PubChem CID88908375
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane
SMILESC=C(C)OCCCCCCOC(CC)CC
InChIInChI=1S/C14H28O2/c1-5-14(6-2)16-12-10-8-7-9-11-15-13(3)4/h14H,3,5-12H2,1-2,4H3
InChIKeyRAZDKDRVFJHFDA-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.30
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-pentan-3-yloxydecane
CID 173279604
1,3-bis(prop-1-en-2-yloxy)propane;methane
CID 162270596
3-nonoxypentan-1-ol
CID 141114457
3-(2-methylprop-2-enoxy)pentane
CID 123638560
5-pentan-3-yloxypentan-2-ol
CID 175260271
2-(8-prop-1-en-2-yloxyoctylamino)ethanol
CID 177029653
ethyl 5-prop-1-en-2-yloxypentanoate
CID 87413357
2-methyl-N-(2-pentoxybutyl)prop-2-enamide
CID 102118149
4-pentan-3-yloxybutyl 5-ethyl-5-hydroxy-4-oxoheptanoate
CID 123342274
9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
3,7-didodecoxydodecane
CID 123502949
N,N-dimethyl-3-pentan-3-yloxypropan-1-amine
CID 126576057

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane?
The IUPAC name of 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane (CID 88908375) is 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane.
What is the SMILES notation for 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane?
The canonical SMILES for 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane is C=C(C)OCCCCCCOC(CC)CC.
What is the InChIKey of 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane?
The InChIKey is RAZDKDRVFJHFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-14(6-2)16-12-10-8-7-9-11-15-13(3)4/h14H,3,5-12H2,1-2,4H3.
What are the key properties of 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane?
1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane has a molecular weight of 228.38 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yloxy-6-prop-1-en-2-yloxyhexane is sourced from PubChem (CID 88908375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).