(4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol

C14H27NO — CID 88789401

IUPAC(4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol
SMILESC/C(=C\CN)CC/C=C(\C)CC(C)(C)CO
InChIInChI=1S/C14H27NO/c1-12(8-9-15)6-5-7-13(2)10-14(3,4)11-16/h7-8,16H,5-6,9-11,15H2,1-4H3/b12-8+,13-7+
InChIKeyHILPVXXKDFJBCO-SWZPTJTJSA-N
MW225.38 g/mol
LogP3.03
Rot. Bonds7

About (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol

(4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol (PubChem CID 88789401) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol.

Molecular Properties

Compound Name(4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol
PubChem CID88789401
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol
SMILESC/C(=C\CN)CC/C=C(\C)CC(C)(C)CO
InChIInChI=1S/C14H27NO/c1-12(8-9-15)6-5-7-13(2)10-14(3,4)11-16/h7-8,16H,5-6,9-11,15H2,1-4H3/b12-8+,13-7+
InChIKeyHILPVXXKDFJBCO-SWZPTJTJSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
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 (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol?
The IUPAC name of (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol (CID 88789401) is (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol.
What is the SMILES notation for (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol?
The canonical SMILES for (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol is C/C(=C\CN)CC/C=C(\C)CC(C)(C)CO.
What is the InChIKey of (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol?
The InChIKey is HILPVXXKDFJBCO-SWZPTJTJSA-N. The full InChI is InChI=1S/C14H27NO/c1-12(8-9-15)6-5-7-13(2)10-14(3,4)11-16/h7-8,16H,5-6,9-11,15H2,1-4H3/b12-8+,13-7+.
What are the key properties of (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol?
(4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-10-amino-2,2,4,8-tetramethyldeca-4,8-dien-1-ol is sourced from PubChem (CID 88789401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).