(5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one

C18H30O2 — CID 10084972

IUPAC(5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one
SMILESCC(C)=CC(=O)/C=C(/C)CCC/C(C)=C/CC[C@@H](C)O
InChIInChI=1S/C18H30O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9,12-13,17,19H,6-8,10-11H2,1-5H3/b15-9+,16-13-/t17-/m1/s1
InChIKeyTZNBCSGCHOVZDX-ZDROHQCRSA-N
MW278.44 g/mol
LogP4.75
Rot. Bonds9

About (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one

(5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one (PubChem CID 10084972) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one.

Molecular Properties

Compound Name(5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one
PubChem CID10084972
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one
SMILESCC(C)=CC(=O)/C=C(/C)CCC/C(C)=C/CC[C@@H](C)O
InChIInChI=1S/C18H30O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9,12-13,17,19H,6-8,10-11H2,1-5H3/b15-9+,16-13-/t17-/m1/s1
InChIKeyTZNBCSGCHOVZDX-ZDROHQCRSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one?
The IUPAC name of (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one (CID 10084972) is (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one.
What is the SMILES notation for (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one?
The canonical SMILES for (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one is CC(C)=CC(=O)/C=C(/C)CCC/C(C)=C/CC[C@@H](C)O.
What is the InChIKey of (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one?
The InChIKey is TZNBCSGCHOVZDX-ZDROHQCRSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(2)12-18(20)13-16(4)10-6-8-15(3)9-7-11-17(5)19/h9,12-13,17,19H,6-8,10-11H2,1-5H3/b15-9+,16-13-/t17-/m1/s1.
What are the key properties of (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one?
(5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one has a molecular weight of 278.44 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,10E,14R)-14-hydroxy-2,6,10-trimethylpentadeca-2,5,10-trien-4-one is sourced from PubChem (CID 10084972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).