2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol

C17H26O3 — CID 139587978

IUPAC2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol
SMILESC/C=C/C=C/C=C/C=C(\C)C1OCC(C)C(OC)C1O
InChIInChI=1S/C17H26O3/c1-5-6-7-8-9-10-11-13(2)17-15(18)16(19-4)14(3)12-20-17/h5-11,14-18H,12H2,1-4H3/b6-5+,8-7+,10-9+,13-11+
InChIKeyBWSYYLSLQRWYIN-ZQNRIKKJSA-N
MW278.39 g/mol
LogP3.03
Rot. Bonds5

About 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol

2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol (PubChem CID 139587978) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol.

Molecular Properties

Compound Name2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol
PubChem CID139587978
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol
SMILESC/C=C/C=C/C=C/C=C(\C)C1OCC(C)C(OC)C1O
InChIInChI=1S/C17H26O3/c1-5-6-7-8-9-10-11-13(2)17-15(18)16(19-4)14(3)12-20-17/h5-11,14-18H,12H2,1-4H3/b6-5+,8-7+,10-9+,13-11+
InChIKeyBWSYYLSLQRWYIN-ZQNRIKKJSA-N
XLogP3.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol?
The IUPAC name of 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol (CID 139587978) is 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol.
What is the SMILES notation for 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol?
The canonical SMILES for 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol is C/C=C/C=C/C=C/C=C(\C)C1OCC(C)C(OC)C1O.
What is the InChIKey of 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol?
The InChIKey is BWSYYLSLQRWYIN-ZQNRIKKJSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-6-7-8-9-10-11-13(2)17-15(18)16(19-4)14(3)12-20-17/h5-11,14-18H,12H2,1-4H3/b6-5+,8-7+,10-9+,13-11+.
What are the key properties of 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol?
2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol has a molecular weight of 278.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E,6E,8E)-deca-2,4,6,8-tetraen-2-yl]-4-methoxy-5-methyloxan-3-ol is sourced from PubChem (CID 139587978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).