(2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol

C15H29NO — CID 126693123

IUPAC(2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol
SMILESC/C=C\C(=C/[C@@H](C)O)[C@H](CC)[C@H](C)CN(C)C
InChIInChI=1S/C15H29NO/c1-7-9-14(10-13(4)17)15(8-2)12(3)11-16(5)6/h7,9-10,12-13,15,17H,8,11H2,1-6H3/b9-7-,14-10+/t12-,13-,15-/m1/s1
InChIKeyCVTTUGLILSJLDJ-CLHVBLLDSA-N
MW239.40 g/mol
LogP3.09
Rot. Bonds7

About (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol

(2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol (PubChem CID 126693123) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol.

Molecular Properties

Compound Name(2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol
PubChem CID126693123
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol
SMILESC/C=C\C(=C/[C@@H](C)O)[C@H](CC)[C@H](C)CN(C)C
InChIInChI=1S/C15H29NO/c1-7-9-14(10-13(4)17)15(8-2)12(3)11-16(5)6/h7,9-10,12-13,15,17H,8,11H2,1-6H3/b9-7-,14-10+/t12-,13-,15-/m1/s1
InChIKeyCVTTUGLILSJLDJ-CLHVBLLDSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol?
The IUPAC name of (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol (CID 126693123) is (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol.
What is the SMILES notation for (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol?
The canonical SMILES for (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol is C/C=C\C(=C/[C@@H](C)O)[C@H](CC)[C@H](C)CN(C)C.
What is the InChIKey of (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol?
The InChIKey is CVTTUGLILSJLDJ-CLHVBLLDSA-N. The full InChI is InChI=1S/C15H29NO/c1-7-9-14(10-13(4)17)15(8-2)12(3)11-16(5)6/h7,9-10,12-13,15,17H,8,11H2,1-6H3/b9-7-,14-10+/t12-,13-,15-/m1/s1.
What are the key properties of (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol?
(2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol has a molecular weight of 239.40 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5Z)-4-[(2S,3R)-1-(dimethylamino)-2-methylpentan-3-yl]hepta-3,5-dien-2-ol is sourced from PubChem (CID 126693123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).