(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid

C18H26O4 — CID 174832774

IUPAC(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
SMILESCC(C)=CCC/C(C)=C/CO.COc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H18O.C8H8O3/c1-9(2)5-4-6-10(3)7-8-11;1-11-7-4-2-6(3-5-7)8(9)10/h5,7,11H,4,6,8H2,1-3H3;2-5H,1H3,(H,9,10)/b10-7+;
InChIKeyMWMRDBULGGXMBQ-HCUGZAAXSA-N
MW306.40 g/mol
LogP4.06
Rot. Bonds6

About (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid

(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid (PubChem CID 174832774) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid.

Molecular Properties

Compound Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
PubChem CID174832774
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
SMILESCC(C)=CCC/C(C)=C/CO.COc1ccc(C(=O)O)cc1
InChIInChI=1S/C10H18O.C8H8O3/c1-9(2)5-4-6-10(3)7-8-11;1-11-7-4-2-6(3-5-7)8(9)10/h5,7,11H,4,6,8H2,1-3H3;2-5H,1H3,(H,9,10)/b10-7+;
InChIKeyMWMRDBULGGXMBQ-HCUGZAAXSA-N
XLogP4.06
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3,7-dimethylocta-2,6-dienoxy)benzoic acid
CID 54274018
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
CID 10518482
4-(3,7-dimethylocta-2,6-dienoxy)-3-methoxybenzoic acid
CID 54425440
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-(3,7,11-trimethyldodeca-2,6,10-trienylamino)benzoic acid
CID 67762934
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
N-(3,7-dimethylocta-2,6-dienyl)-4-methoxy-N-(4-methoxyphenyl)aniline
CID 69302470
(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol
CID 174793032
benzyl acetate;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 67892441
2-(4-methoxyphenyl)sulfonyl-5,9-dimethyldeca-4,8-dienoic acid
CID 73443899

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid?
The IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid (CID 174832774) is (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid.
What is the SMILES notation for (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid?
The canonical SMILES for (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid is CC(C)=CCC/C(C)=C/CO.COc1ccc(C(=O)O)cc1.
What is the InChIKey of (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid?
The InChIKey is MWMRDBULGGXMBQ-HCUGZAAXSA-N. The full InChI is InChI=1S/C10H18O.C8H8O3/c1-9(2)5-4-6-10(3)7-8-11;1-11-7-4-2-6(3-5-7)8(9)10/h5,7,11H,4,6,8H2,1-3H3;2-5H,1H3,(H,9,10)/b10-7+;.
What are the key properties of (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid?
(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid has a molecular weight of 306.40 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid is sourced from PubChem (CID 174832774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).