(2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol

C9H16O2 — CID 101079975

IUPAC(2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol
SMILESC=CCO[C@](C)(CO)CC=C
InChIInChI=1S/C9H16O2/c1-4-6-9(3,8-10)11-7-5-2/h4-5,10H,1-2,6-8H2,3H3/t9-/m0/s1
InChIKeyGGOPLRUEAAQOSH-VIFPVBQESA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds6

About (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol

(2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol (PubChem CID 101079975) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol
PubChem CID101079975
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol
SMILESC=CCO[C@](C)(CO)CC=C
InChIInChI=1S/C9H16O2/c1-4-6-9(3,8-10)11-7-5-2/h4-5,10H,1-2,6-8H2,3H3/t9-/m0/s1
InChIKeyGGOPLRUEAAQOSH-VIFPVBQESA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol?
The IUPAC name of (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol (CID 101079975) is (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol.
What is the SMILES notation for (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol?
The canonical SMILES for (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol is C=CCO[C@](C)(CO)CC=C.
What is the InChIKey of (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol?
The InChIKey is GGOPLRUEAAQOSH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6-9(3,8-10)11-7-5-2/h4-5,10H,1-2,6-8H2,3H3/t9-/m0/s1.
What are the key properties of (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol?
(2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol has a molecular weight of 156.22 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-2-prop-2-enoxypent-4-en-1-ol is sourced from PubChem (CID 101079975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).