(E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol

C19H34O3 — CID 11120482

IUPAC(E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol
SMILESC/C(=C\CCC(C)(O)C1CC1)CCCCOC1CCCCO1
InChIInChI=1S/C19H34O3/c1-16(9-7-13-19(2,20)17-11-12-17)8-3-5-14-21-18-10-4-6-15-22-18/h9,17-18,20H,3-8,10-15H2,1-2H3/b16-9+
InChIKeyDZQNBFVATCYVAI-CXUHLZMHSA-N
MW310.48 g/mol
LogP4.59
Rot. Bonds10

About (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol

(E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol (PubChem CID 11120482) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol.

Molecular Properties

Compound Name(E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol
PubChem CID11120482
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name(E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol
SMILESC/C(=C\CCC(C)(O)C1CC1)CCCCOC1CCCCO1
InChIInChI=1S/C19H34O3/c1-16(9-7-13-19(2,20)17-11-12-17)8-3-5-14-21-18-10-4-6-15-22-18/h9,17-18,20H,3-8,10-15H2,1-2H3/b16-9+
InChIKeyDZQNBFVATCYVAI-CXUHLZMHSA-N
XLogP4.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol?
The IUPAC name of (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol (CID 11120482) is (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol.
What is the SMILES notation for (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol?
The canonical SMILES for (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol is C/C(=C\CCC(C)(O)C1CC1)CCCCOC1CCCCO1.
What is the InChIKey of (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol?
The InChIKey is DZQNBFVATCYVAI-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H34O3/c1-16(9-7-13-19(2,20)17-11-12-17)8-3-5-14-21-18-10-4-6-15-22-18/h9,17-18,20H,3-8,10-15H2,1-2H3/b16-9+.
What are the key properties of (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol?
(E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol has a molecular weight of 310.48 g/mol, XLogP of 4.59, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyclopropyl-6-methyl-10-(oxan-2-yloxy)dec-5-en-2-ol is sourced from PubChem (CID 11120482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).