(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene

C17H30O2 — CID 59026961

IUPAC(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene
SMILESC=CC[C@@H](C[C@@H](C)CCC=C(C)C)OC(C=C)OC
InChIInChI=1S/C17H30O2/c1-7-10-16(19-17(8-2)18-6)13-15(5)12-9-11-14(3)4/h7-8,11,15-17H,1-2,9-10,12-13H2,3-6H3/t15-,16-,17?/m0/s1
InChIKeySUYUBDXDITZGEA-PYNWJHIZSA-N
MW266.43 g/mol
LogP4.88
Rot. Bonds11

About (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene

(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene (PubChem CID 59026961) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene.

Molecular Properties

Compound Name(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene
PubChem CID59026961
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Name(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene
SMILESC=CC[C@@H](C[C@@H](C)CCC=C(C)C)OC(C=C)OC
InChIInChI=1S/C17H30O2/c1-7-10-16(19-17(8-2)18-6)13-15(5)12-9-11-14(3)4/h7-8,11,15-17H,1-2,9-10,12-13H2,3-6H3/t15-,16-,17?/m0/s1
InChIKeySUYUBDXDITZGEA-PYNWJHIZSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene?
The IUPAC name of (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene (CID 59026961) is (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene.
What is the SMILES notation for (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene?
The canonical SMILES for (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene is C=CC[C@@H](C[C@@H](C)CCC=C(C)C)OC(C=C)OC.
What is the InChIKey of (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene?
The InChIKey is SUYUBDXDITZGEA-PYNWJHIZSA-N. The full InChI is InChI=1S/C17H30O2/c1-7-10-16(19-17(8-2)18-6)13-15(5)12-9-11-14(3)4/h7-8,11,15-17H,1-2,9-10,12-13H2,3-6H3/t15-,16-,17?/m0/s1.
What are the key properties of (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene?
(4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene has a molecular weight of 266.43 g/mol, XLogP of 4.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-(1-methoxyprop-2-enoxy)-6,10-dimethylundeca-1,9-diene is sourced from PubChem (CID 59026961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).