4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol

C15H26O5 — CID 153365026

About 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol

4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol (PubChem CID 153365026) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol.

Molecular Properties

• Compound Name: 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol
• PubChem CID: 153365026
• Molecular Formula: C15H26O5
• Molecular Weight: 286.37 g/mol
• Exact Mass: 286.18
• IUPAC Name: 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol
• SMILES: C=CCC(O)(CC=C)[C@H](OC)[C@H]1OC(C)(C)O[C@H]1CO
• InChI: InChI=1S/C15H26O5/c1-6-8-15(17,9-7-2)13(18-5)12-11(10-16)19-14(3,4)20-12/h6-7,11-13,16-17H,1-2,8-10H2,3-5H3/t11-,12-,13+/m0/s1
• InChIKey: HUMSUFUKSOMQOU-RWMBFGLXSA-N
• XLogP: 1.40
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	286.37
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol?

The IUPAC name of 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol (CID 153365026) is 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol.

What is the SMILES notation for 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol?

The canonical SMILES for 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)[C@H](OC)[C@H]1OC(C)(C)O[C@H]1CO.

What is the InChIKey of 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol?

The InChIKey is HUMSUFUKSOMQOU-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H26O5/c1-6-8-15(17,9-7-2)13(18-5)12-11(10-16)19-14(3,4)20-12/h6-7,11-13,16-17H,1-2,8-10H2,3-5H3/t11-,12-,13+/m0/s1.

What are the key properties of 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol?

4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol has a molecular weight of 286.37 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(R)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-methoxymethyl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 153365026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).