(2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol

C13H24O3 — CID 10263187

IUPAC(2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol
SMILESC/C=C/[C@@H](O)C/C(C)=C\[C@@H](C)COCOC
InChIInChI=1S/C13H24O3/c1-5-6-13(14)8-11(2)7-12(3)9-16-10-15-4/h5-7,12-14H,8-10H2,1-4H3/b6-5+,11-7-/t12-,13-/m1/s1
InChIKeyPPGLVCBDHYIGHA-IASRUXGTSA-N
MW228.33 g/mol
LogP2.52
Rot. Bonds8

About (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol

(2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol (PubChem CID 10263187) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol.

Molecular Properties

Compound Name(2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol
PubChem CID10263187
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol
SMILESC/C=C/[C@@H](O)C/C(C)=C\[C@@H](C)COCOC
InChIInChI=1S/C13H24O3/c1-5-6-13(14)8-11(2)7-12(3)9-16-10-15-4/h5-7,12-14H,8-10H2,1-4H3/b6-5+,11-7-/t12-,13-/m1/s1
InChIKeyPPGLVCBDHYIGHA-IASRUXGTSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol?
The IUPAC name of (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol (CID 10263187) is (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol.
What is the SMILES notation for (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol?
The canonical SMILES for (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol is C/C=C/[C@@H](O)C/C(C)=C\[C@@H](C)COCOC.
What is the InChIKey of (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol?
The InChIKey is PPGLVCBDHYIGHA-IASRUXGTSA-N. The full InChI is InChI=1S/C13H24O3/c1-5-6-13(14)8-11(2)7-12(3)9-16-10-15-4/h5-7,12-14H,8-10H2,1-4H3/b6-5+,11-7-/t12-,13-/m1/s1.
What are the key properties of (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol?
(2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol has a molecular weight of 228.33 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,6Z,8R)-9-(methoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol is sourced from PubChem (CID 10263187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).