(2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol

C15H27NO — CID 134462959

IUPAC(2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol
SMILESC/C=C\C=C/C(CC[C@@H](CO)N(C)C)=C(C)C
InChIInChI=1S/C15H27NO/c1-6-7-8-9-14(13(2)3)10-11-15(12-17)16(4)5/h6-9,15,17H,10-12H2,1-5H3/b7-6-,9-8-/t15-/m0/s1
InChIKeyGOQLHWKPRGVRRU-FQGDYJCMSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds7

About (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol

(2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol (PubChem CID 134462959) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol.

Molecular Properties

Compound Name(2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol
PubChem CID134462959
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol
SMILESC/C=C\C=C/C(CC[C@@H](CO)N(C)C)=C(C)C
InChIInChI=1S/C15H27NO/c1-6-7-8-9-14(13(2)3)10-11-15(12-17)16(4)5/h6-9,15,17H,10-12H2,1-5H3/b7-6-,9-8-/t15-/m0/s1
InChIKeyGOQLHWKPRGVRRU-FQGDYJCMSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol?
The IUPAC name of (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol (CID 134462959) is (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol.
What is the SMILES notation for (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol?
The canonical SMILES for (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol is C/C=C\C=C/C(CC[C@@H](CO)N(C)C)=C(C)C.
What is the InChIKey of (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol?
The InChIKey is GOQLHWKPRGVRRU-FQGDYJCMSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-7-8-9-14(13(2)3)10-11-15(12-17)16(4)5/h6-9,15,17H,10-12H2,1-5H3/b7-6-,9-8-/t15-/m0/s1.
What are the key properties of (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol?
(2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol has a molecular weight of 237.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6Z,8Z)-2-(dimethylamino)-5-propan-2-ylidenedeca-6,8-dien-1-ol is sourced from PubChem (CID 134462959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).