3-methyl-4-pentoxypent-2-ene

C11H22O — CID 57157343

IUPAC3-methyl-4-pentoxypent-2-ene
SMILESCC=C(C)C(C)OCCCCC
InChIInChI=1S/C11H22O/c1-5-7-8-9-12-11(4)10(3)6-2/h6,11H,5,7-9H2,1-4H3
InChIKeyZXIDXEUJUOQLSU-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.55
Rot. Bonds6

About 3-methyl-4-pentoxypent-2-ene

3-methyl-4-pentoxypent-2-ene (PubChem CID 57157343) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-methyl-4-pentoxypent-2-ene.

Molecular Properties

Compound Name3-methyl-4-pentoxypent-2-ene
PubChem CID57157343
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-methyl-4-pentoxypent-2-ene
SMILESCC=C(C)C(C)OCCCCC
InChIInChI=1S/C11H22O/c1-5-7-8-9-12-11(4)10(3)6-2/h6,11H,5,7-9H2,1-4H3
InChIKeyZXIDXEUJUOQLSU-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.55
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

3-methyl-4-propoxypent-2-ene
CID 56990973
3-pentoxybutan-2-one
CID 43801294
2-pentoxypropanamide
CID 62900296
(2S)-2-heptoxypropanoic acid
CID 22301798
1-pentoxyethanol
CID 19598527
ethyl 2-nonoxypropanoate
CID 88680880
1-heptacontoxyethanol
CID 169098461
methyl (2S)-2-hexoxypropanoate
CID 103337819
methyl 2-dodecoxypropanoate
CID 86244254
ethyl-hexoxy-dihydroxyphosphanium
CID 170563061
tert-butyl 2-heptoxypropanoate
CID 66337184
1-pentoxyethanethiol
CID 173039509

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pentoxypent-2-ene?
The IUPAC name of 3-methyl-4-pentoxypent-2-ene (CID 57157343) is 3-methyl-4-pentoxypent-2-ene.
What is the SMILES notation for 3-methyl-4-pentoxypent-2-ene?
The canonical SMILES for 3-methyl-4-pentoxypent-2-ene is CC=C(C)C(C)OCCCCC.
What is the InChIKey of 3-methyl-4-pentoxypent-2-ene?
The InChIKey is ZXIDXEUJUOQLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-5-7-8-9-12-11(4)10(3)6-2/h6,11H,5,7-9H2,1-4H3.
What are the key properties of 3-methyl-4-pentoxypent-2-ene?
3-methyl-4-pentoxypent-2-ene has a molecular weight of 170.30 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pentoxypent-2-ene is sourced from PubChem (CID 57157343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).