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

C14H26O4 — CID 10083866

IUPAC(2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol
SMILESC/C=C/[C@@H](O)C/C(C)=C\[C@@H](C)COCOCOC
InChIInChI=1S/C14H26O4/c1-5-6-14(15)8-12(2)7-13(3)9-17-11-18-10-16-4/h5-7,13-15H,8-11H2,1-4H3/b6-5+,12-7-/t13-,14-/m1/s1
InChIKeyDQPXNKVNSHFCJC-NDCAZQCESA-N
MW258.36 g/mol
LogP2.49
Rot. Bonds10

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

(2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol (PubChem CID 10083866) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol.

Molecular Properties

Compound Name(2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol
PubChem CID10083866
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name(2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol
SMILESC/C=C/[C@@H](O)C/C(C)=C\[C@@H](C)COCOCOC
InChIInChI=1S/C14H26O4/c1-5-6-14(15)8-12(2)7-13(3)9-17-11-18-10-16-4/h5-7,13-15H,8-11H2,1-4H3/b6-5+,12-7-/t13-,14-/m1/s1
InChIKeyDQPXNKVNSHFCJC-NDCAZQCESA-N
XLogP2.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol?
The IUPAC name of (2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol (CID 10083866) is (2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol.
What is the SMILES notation for (2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol?
The canonical SMILES for (2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol is C/C=C/[C@@H](O)C/C(C)=C\[C@@H](C)COCOCOC.
What is the InChIKey of (2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol?
The InChIKey is DQPXNKVNSHFCJC-NDCAZQCESA-N. The full InChI is InChI=1S/C14H26O4/c1-5-6-14(15)8-12(2)7-13(3)9-17-11-18-10-16-4/h5-7,13-15H,8-11H2,1-4H3/b6-5+,12-7-/t13-,14-/m1/s1.
What are the key properties of (2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol?
(2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol has a molecular weight of 258.36 g/mol, XLogP of 2.49, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,6Z,8R)-9-(methoxymethoxymethoxy)-6,8-dimethylnona-2,6-dien-4-ol is sourced from PubChem (CID 10083866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).