(E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol

C16H33NO — CID 89220244

IUPAC(E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol
SMILESC/C=C/C[C@@H](C)[C@@H](O)C(N(C)CC)C(C)(C)CC
InChIInChI=1S/C16H33NO/c1-8-11-12-13(4)14(18)15(17(7)10-3)16(5,6)9-2/h8,11,13-15,18H,9-10,12H2,1-7H3/b11-8+/t13-,14-,15?/m1/s1
InChIKeySFROPMDGKWQNLZ-UPSYVDGJSA-N
MW255.45 g/mol
LogP3.71
Rot. Bonds8

About (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol

(E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol (PubChem CID 89220244) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol.

Molecular Properties

Compound Name(E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol
PubChem CID89220244
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol
SMILESC/C=C/C[C@@H](C)[C@@H](O)C(N(C)CC)C(C)(C)CC
InChIInChI=1S/C16H33NO/c1-8-11-12-13(4)14(18)15(17(7)10-3)16(5,6)9-2/h8,11,13-15,18H,9-10,12H2,1-7H3/b11-8+/t13-,14-,15?/m1/s1
InChIKeySFROPMDGKWQNLZ-UPSYVDGJSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol?
The IUPAC name of (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol (CID 89220244) is (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol.
What is the SMILES notation for (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol?
The canonical SMILES for (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol is C/C=C/C[C@@H](C)[C@@H](O)C(N(C)CC)C(C)(C)CC.
What is the InChIKey of (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol?
The InChIKey is SFROPMDGKWQNLZ-UPSYVDGJSA-N. The full InChI is InChI=1S/C16H33NO/c1-8-11-12-13(4)14(18)15(17(7)10-3)16(5,6)9-2/h8,11,13-15,18H,9-10,12H2,1-7H3/b11-8+/t13-,14-,15?/m1/s1.
What are the key properties of (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol?
(E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol has a molecular weight of 255.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R,6R)-4-[ethyl(methyl)amino]-3,3,6-trimethyldec-8-en-5-ol is sourced from PubChem (CID 89220244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).