1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol

C15H22O3 — CID 90463746

IUPAC1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol
SMILESC=C/C=C(\C=C/C)C1(CC(O)CC=C)OCCO1
InChIInChI=1S/C15H22O3/c1-4-7-13(8-5-2)15(17-10-11-18-15)12-14(16)9-6-3/h4-8,14,16H,1,3,9-12H2,2H3/b8-5-,13-7+
InChIKeyQIMQSVYIUIKYHX-AXBOXZAGSA-N
MW250.34 g/mol
LogP2.75
Rot. Bonds7

About 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol

1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol (PubChem CID 90463746) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol.

Molecular Properties

Compound Name1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol
PubChem CID90463746
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol
SMILESC=C/C=C(\C=C/C)C1(CC(O)CC=C)OCCO1
InChIInChI=1S/C15H22O3/c1-4-7-13(8-5-2)15(17-10-11-18-15)12-14(16)9-6-3/h4-8,14,16H,1,3,9-12H2,2H3/b8-5-,13-7+
InChIKeyQIMQSVYIUIKYHX-AXBOXZAGSA-N
XLogP2.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol?
The IUPAC name of 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol (CID 90463746) is 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol.
What is the SMILES notation for 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol?
The canonical SMILES for 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol is C=C/C=C(\C=C/C)C1(CC(O)CC=C)OCCO1.
What is the InChIKey of 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol?
The InChIKey is QIMQSVYIUIKYHX-AXBOXZAGSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-7-13(8-5-2)15(17-10-11-18-15)12-14(16)9-6-3/h4-8,14,16H,1,3,9-12H2,2H3/b8-5-,13-7+.
What are the key properties of 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol?
1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol has a molecular weight of 250.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3-dioxolan-2-yl]pent-4-en-2-ol is sourced from PubChem (CID 90463746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).