1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol

C20H34O3 — CID 54058478

IUPAC1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol
SMILESCC(=CCOC1CCCCO1)CCC=C(C)CCC(O)C1CC1
InChIInChI=1S/C20H34O3/c1-16(9-12-19(21)18-10-11-18)6-5-7-17(2)13-15-23-20-8-3-4-14-22-20/h6,13,18-21H,3-5,7-12,14-15H2,1-2H3
InChIKeyLXYQDXGQONXHJU-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.75
Rot. Bonds10

About 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol

1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol (PubChem CID 54058478) has the molecular formula C20H34O3 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol
PubChem CID54058478
Molecular FormulaC20H34O3
Molecular Weight322.49 g/mol
Exact Mass322.25
IUPAC Name1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol
SMILESCC(=CCOC1CCCCO1)CCC=C(C)CCC(O)C1CC1
InChIInChI=1S/C20H34O3/c1-16(9-12-19(21)18-10-11-18)6-5-7-17(2)13-15-23-20-8-3-4-14-22-20/h6,13,18-21H,3-5,7-12,14-15H2,1-2H3
InChIKeyLXYQDXGQONXHJU-UHFFFAOYSA-N
XLogP4.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol?
The IUPAC name of 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol (CID 54058478) is 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol.
What is the SMILES notation for 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol?
The canonical SMILES for 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol is CC(=CCOC1CCCCO1)CCC=C(C)CCC(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol?
The InChIKey is LXYQDXGQONXHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O3/c1-16(9-12-19(21)18-10-11-18)6-5-7-17(2)13-15-23-20-8-3-4-14-22-20/h6,13,18-21H,3-5,7-12,14-15H2,1-2H3.
What are the key properties of 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol?
1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol has a molecular weight of 322.49 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dien-1-ol is sourced from PubChem (CID 54058478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).