(Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol

C14H26O2 — CID 142009179

IUPAC(Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/COCCC.C/C=C\CC
InChIInChI=1S/C9H16O2.C5H10/c1-3-7-11-8-5-6-9(10)4-2;1-3-5-4-2/h4-6,10H,3,7-8H2,1-2H3;3,5H,4H2,1-2H3/b6-5-,9-4+;5-3-
InChIKeyTVWCAGYMBJZXCH-QXDOCYOASA-N
MW226.36 g/mol
LogP4.40
Rot. Bonds6

About (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol

(Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol (PubChem CID 142009179) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol.

Molecular Properties

Compound Name(Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol
PubChem CID142009179
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/COCCC.C/C=C\CC
InChIInChI=1S/C9H16O2.C5H10/c1-3-7-11-8-5-6-9(10)4-2;1-3-5-4-2/h4-6,10H,3,7-8H2,1-2H3;3,5H,4H2,1-2H3/b6-5-,9-4+;5-3-
InChIKeyTVWCAGYMBJZXCH-QXDOCYOASA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol?
The IUPAC name of (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol (CID 142009179) is (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol.
What is the SMILES notation for (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol?
The canonical SMILES for (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol is C/C=C(O)\C=C/COCCC.C/C=C\CC.
What is the InChIKey of (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol?
The InChIKey is TVWCAGYMBJZXCH-QXDOCYOASA-N. The full InChI is InChI=1S/C9H16O2.C5H10/c1-3-7-11-8-5-6-9(10)4-2;1-3-5-4-2/h4-6,10H,3,7-8H2,1-2H3;3,5H,4H2,1-2H3/b6-5-,9-4+;5-3-.
What are the key properties of (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol?
(Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol has a molecular weight of 226.36 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pent-2-ene;(2E,4Z)-6-propoxyhexa-2,4-dien-3-ol is sourced from PubChem (CID 142009179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).