4,5-dimethoxypent-1-ene

C7H14O2 — CID 73040162

IUPAC4,5-dimethoxypent-1-ene
SMILESC=CCC(COC)OC
InChIInChI=1S/C7H14O2/c1-4-5-7(9-3)6-8-2/h4,7H,1,5-6H2,2-3H3
InChIKeyXGEJXRXJBXZUGJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.22
Rot. Bonds5

About 4,5-dimethoxypent-1-ene

4,5-dimethoxypent-1-ene (PubChem CID 73040162) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 4,5-dimethoxypent-1-ene.

Molecular Properties

Compound Name4,5-dimethoxypent-1-ene
PubChem CID73040162
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name4,5-dimethoxypent-1-ene
SMILESC=CCC(COC)OC
InChIInChI=1S/C7H14O2/c1-4-5-7(9-3)6-8-2/h4,7H,1,5-6H2,2-3H3
InChIKeyXGEJXRXJBXZUGJ-UHFFFAOYSA-N
XLogP1.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxypent-4-en-1-ol
CID 90985403
(3S)-3,4-dimethoxybutanal
CID 11535563
1-ethenoxypropane;2-methoxypent-4-en-1-ol
CID 174961745
7,8-dimethoxyoct-1-ene
CID 3022579
5-methoxy-4-(methoxymethyl)hex-1-ene
CID 89049171
1,2,5,6-tetramethoxyhexane
CID 18679814
4-(6-methoxyhexoxy)hepta-1,6-diene
CID 88561855
4-methoxynon-1-ene
CID 13284925
4-(bromomethyl)-6-methoxy-5-methylhex-1-ene
CID 165442980
1-methoxy-2-(1-methoxy-3-prop-2-enoxypropan-2-yl)oxy-3-prop-2-enoxypropane
CID 22498090
1-methoxy-2-methylhex-5-en-3-ol
CID 116502507
2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxypent-1-ene?
The IUPAC name of 4,5-dimethoxypent-1-ene (CID 73040162) is 4,5-dimethoxypent-1-ene.
What is the SMILES notation for 4,5-dimethoxypent-1-ene?
The canonical SMILES for 4,5-dimethoxypent-1-ene is C=CCC(COC)OC.
What is the InChIKey of 4,5-dimethoxypent-1-ene?
The InChIKey is XGEJXRXJBXZUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-5-7(9-3)6-8-2/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 4,5-dimethoxypent-1-ene?
4,5-dimethoxypent-1-ene has a molecular weight of 130.19 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxypent-1-ene is sourced from PubChem (CID 73040162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).