(5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol

C14H27AlO — CID 134895349

IUPAC(5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol
SMILESC/C(=C\[Al](C)C)CC/C=C(\C)CCCCO
InChIInChI=1S/C12H21O.2CH3.Al/c1-11(2)7-6-9-12(3)8-4-5-10-13;;;/h1,9,13H,4-8,10H2,2-3H3;2*1H3;/b11-1?,12-9+;;;
InChIKeyCZJOQFCEKYJLMK-ZYRDJOGBSA-N
MW238.35 g/mol
LogP4.12
Rot. Bonds8

About (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol

(5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol (PubChem CID 134895349) has the molecular formula C14H27AlO and a molecular weight of 238.35 g/mol. Its IUPAC name is (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol.

Molecular Properties

Compound Name(5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol
PubChem CID134895349
Molecular FormulaC14H27AlO
Molecular Weight238.35 g/mol
Exact Mass238.19
IUPAC Name(5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol
SMILESC/C(=C\[Al](C)C)CC/C=C(\C)CCCCO
InChIInChI=1S/C12H21O.2CH3.Al/c1-11(2)7-6-9-12(3)8-4-5-10-13;;;/h1,9,13H,4-8,10H2,2-3H3;2*1H3;/b11-1?,12-9+;;;
InChIKeyCZJOQFCEKYJLMK-ZYRDJOGBSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-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

Related Compounds

(5E,9E)-12-bromo-5,9-dimethyldodeca-5,9-dien-1-ol
CID 11822357
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
[(E)-6-chloro-2-methylhex-1-enyl]-dimethylalumane
CID 16688957
(2E)-3,7-dimethyldodeca-2,6-dien-1-ol
CID 141351623
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
11-(11-hydroxy-3-methylundec-2-enoxy)-9-methylundec-9-en-1-ol
CID 141464305
3,7,11-trimethylhexadeca-2,6,10-triene
CID 54031242
acetic acid;5,9-dimethyldeca-4,8-dien-1-ol
CID 71328241
cyclopropyloxycyclopropane;4,8,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaen-1-ol
CID 67789944
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol?
The IUPAC name of (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol (CID 134895349) is (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol.
What is the SMILES notation for (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol?
The canonical SMILES for (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol is C/C(=C\[Al](C)C)CC/C=C(\C)CCCCO.
What is the InChIKey of (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol?
The InChIKey is CZJOQFCEKYJLMK-ZYRDJOGBSA-N. The full InChI is InChI=1S/C12H21O.2CH3.Al/c1-11(2)7-6-9-12(3)8-4-5-10-13;;;/h1,9,13H,4-8,10H2,2-3H3;2*1H3;/b11-1?,12-9+;;;.
What are the key properties of (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol?
(5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol has a molecular weight of 238.35 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E)-10-dimethylalumanyl-5,9-dimethyldeca-5,9-dien-1-ol is sourced from PubChem (CID 134895349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).