(E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid

C15H26O3 — CID 156583025

IUPAC(E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid
SMILESC=C(/C=C/C(CC[C@H](C)O)C(C)C)CCC(=O)O
InChIInChI=1S/C15H26O3/c1-11(2)14(9-7-13(4)16)8-5-12(3)6-10-15(17)18/h5,8,11,13-14,16H,3,6-7,9-10H2,1-2,4H3,(H,17,18)/b8-5+/t13-,14?/m0/s1
InChIKeyDEIPJDMJMJFDOV-MIFXVYLCSA-N
MW254.37 g/mol
LogP3.40
Rot. Bonds9

About (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid

(E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid (PubChem CID 156583025) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid.

Molecular Properties

Compound Name(E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid
PubChem CID156583025
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid
SMILESC=C(/C=C/C(CC[C@H](C)O)C(C)C)CCC(=O)O
InChIInChI=1S/C15H26O3/c1-11(2)14(9-7-13(4)16)8-5-12(3)6-10-15(17)18/h5,8,11,13-14,16H,3,6-7,9-10H2,1-2,4H3,(H,17,18)/b8-5+/t13-,14?/m0/s1
InChIKeyDEIPJDMJMJFDOV-MIFXVYLCSA-N
XLogP3.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid?
The IUPAC name of (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid (CID 156583025) is (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid.
What is the SMILES notation for (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid?
The canonical SMILES for (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid is C=C(/C=C/C(CC[C@H](C)O)C(C)C)CCC(=O)O.
What is the InChIKey of (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid?
The InChIKey is DEIPJDMJMJFDOV-MIFXVYLCSA-N. The full InChI is InChI=1S/C15H26O3/c1-11(2)14(9-7-13(4)16)8-5-12(3)6-10-15(17)18/h5,8,11,13-14,16H,3,6-7,9-10H2,1-2,4H3,(H,17,18)/b8-5+/t13-,14?/m0/s1.
What are the key properties of (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid?
(E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid has a molecular weight of 254.37 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S,10S)-10-hydroxy-4-methylidene-7-propan-2-ylundec-5-enoic acid is sourced from PubChem (CID 156583025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).