(3R)-3-but-2-ynoxypent-1-ene

C9H14O — CID 101391150

IUPAC(3R)-3-but-2-ynoxypent-1-ene
SMILESC=C[C@@H](CC)OCC#CC
InChIInChI=1S/C9H14O/c1-4-7-8-10-9(5-2)6-3/h5,9H,2,6,8H2,1,3H3/t9-/m0/s1
InChIKeyYURIYBXDPOVYOF-VIFPVBQESA-N
MW138.21 g/mol
LogP1.99
Rot. Bonds4

About (3R)-3-but-2-ynoxypent-1-ene

(3R)-3-but-2-ynoxypent-1-ene (PubChem CID 101391150) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (3R)-3-but-2-ynoxypent-1-ene.

Molecular Properties

Compound Name(3R)-3-but-2-ynoxypent-1-ene
PubChem CID101391150
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(3R)-3-but-2-ynoxypent-1-ene
SMILESC=C[C@@H](CC)OCC#CC
InChIInChI=1S/C9H14O/c1-4-7-8-10-9(5-2)6-3/h5,9H,2,6,8H2,1,3H3/t9-/m0/s1
InChIKeyYURIYBXDPOVYOF-VIFPVBQESA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pent-1-en-3-yloxypentane
CID 88898435
3-(3-methylbut-2-enoxy)pent-1-ene
CID 175435022
(2S)-1,2-bis(but-2-ynoxy)butane
CID 58872576
3-(2-nitrosoethoxy)pent-1-ene
CID 90726353
1,1-bis(but-2-ynoxy)-2-methylpropane
CID 90242892
ethane-1,2-diol;3-methoxypent-1-ene
CID 90081952
bis(but-2-ynyl) 2-butan-2-ylpropanedioate
CID 130210137
(4-but-2-ynoxy-5,5,5-trifluoropent-1-en-3-yl)benzene
CID 86077595
[(3R)-pent-1-en-3-yl] acetate
CID 92859949
5-ethylhept-2-yne
CID 54215545
3-but-3-en-2-yloxyprop-1-ynylbenzene
CID 11412798
but-2-ynyl prop-2-enoate
CID 14910874

Frequently Asked Questions

What is the IUPAC name of (3R)-3-but-2-ynoxypent-1-ene?
The IUPAC name of (3R)-3-but-2-ynoxypent-1-ene (CID 101391150) is (3R)-3-but-2-ynoxypent-1-ene.
What is the SMILES notation for (3R)-3-but-2-ynoxypent-1-ene?
The canonical SMILES for (3R)-3-but-2-ynoxypent-1-ene is C=C[C@@H](CC)OCC#CC.
What is the InChIKey of (3R)-3-but-2-ynoxypent-1-ene?
The InChIKey is YURIYBXDPOVYOF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O/c1-4-7-8-10-9(5-2)6-3/h5,9H,2,6,8H2,1,3H3/t9-/m0/s1.
What are the key properties of (3R)-3-but-2-ynoxypent-1-ene?
(3R)-3-but-2-ynoxypent-1-ene has a molecular weight of 138.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-but-2-ynoxypent-1-ene is sourced from PubChem (CID 101391150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).