4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid

C16H26O2 — CID 175242680

IUPAC4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid
SMILESC=C(C)CCC(CC=C(C)CCC(=O)O)C(=C)C
InChIInChI=1S/C16H26O2/c1-12(2)6-9-15(13(3)4)10-7-14(5)8-11-16(17)18/h7,15H,1,3,6,8-11H2,2,4-5H3,(H,17,18)
InChIKeyPPSXRDSLGOXEEJ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.74
Rot. Bonds9

About 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid

4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid (PubChem CID 175242680) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid.

Molecular Properties

Compound Name4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid
PubChem CID175242680
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid
SMILESC=C(C)CCC(CC=C(C)CCC(=O)O)C(=C)C
InChIInChI=1S/C16H26O2/c1-12(2)6-9-15(13(3)4)10-7-14(5)8-11-16(17)18/h7,15H,1,3,6,8-11H2,2,4-5H3,(H,17,18)
InChIKeyPPSXRDSLGOXEEJ-UHFFFAOYSA-N
XLogP4.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid 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

(3Z,6R)-3,9-dimethyl-6-prop-1-en-2-yldeca-3,9-dien-1-ol
CID 87224782
(4R)-5-methyl-4-(2-oxoethyl)hex-5-enoic acid
CID 122408291
6-methyl-3-prop-1-en-2-ylhept-6-enoic acid
CID 175242671
3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol
CID 72753022
4-(dihydroxyphosphanylmethyl)-5-methylhex-5-enoic acid
CID 166931605
[6-methyl-5-(2-oxoethyl)hept-6-en-2-ylidene]-oxidooxidanium
CID 102261957
2,7-dimethyl-5-prop-1-en-2-ylnona-1,8-diene
CID 572166
3-ethyl-2,6-dimethylhepta-1,5-diene;3-ethyl-2,6-dimethylhepta-1,6-diene;2-methylpent-1-ene;2-methylpent-2-ene;1-phenylethanone
CID 158864042
3,6-dimethylhept-6-enoic acid
CID 114477602
(5S,8R)-2,8-dimethyl-5-prop-1-en-2-yldeca-1,9-diene
CID 162828118
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid?
The IUPAC name of 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid (CID 175242680) is 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid.
What is the SMILES notation for 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid?
The canonical SMILES for 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid is C=C(C)CCC(CC=C(C)CCC(=O)O)C(=C)C.
What is the InChIKey of 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid?
The InChIKey is PPSXRDSLGOXEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-12(2)6-9-15(13(3)4)10-7-14(5)8-11-16(17)18/h7,15H,1,3,6,8-11H2,2,4-5H3,(H,17,18).
What are the key properties of 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid?
4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid has a molecular weight of 250.38 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-7-prop-1-en-2-ylundeca-4,10-dienoic acid is sourced from PubChem (CID 175242680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).