(6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one

C16H30O2 — CID 162988234

IUPAC(6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one
SMILESCCC(=O)C(C)=C[C@H](C)C[C@H](C)C[C@@](C)(O)CC
InChIInChI=1S/C16H30O2/c1-7-15(17)14(5)10-12(3)9-13(4)11-16(6,18)8-2/h10,12-13,18H,7-9,11H2,1-6H3/t12-,13+,16+/m1/s1
InChIKeyNFZDDCVNVZBRDV-WWGRRREGSA-N
MW254.41 g/mol
LogP4.13
Rot. Bonds8

About (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one

(6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one (PubChem CID 162988234) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one.

Molecular Properties

Compound Name(6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one
PubChem CID162988234
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name(6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one
SMILESCCC(=O)C(C)=C[C@H](C)C[C@H](C)C[C@@](C)(O)CC
InChIInChI=1S/C16H30O2/c1-7-15(17)14(5)10-12(3)9-13(4)11-16(6,18)8-2/h10,12-13,18H,7-9,11H2,1-6H3/t12-,13+,16+/m1/s1
InChIKeyNFZDDCVNVZBRDV-WWGRRREGSA-N
XLogP4.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one?
The IUPAC name of (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one (CID 162988234) is (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one.
What is the SMILES notation for (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one?
The canonical SMILES for (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one is CCC(=O)C(C)=C[C@H](C)C[C@H](C)C[C@@](C)(O)CC.
What is the InChIKey of (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one?
The InChIKey is NFZDDCVNVZBRDV-WWGRRREGSA-N. The full InChI is InChI=1S/C16H30O2/c1-7-15(17)14(5)10-12(3)9-13(4)11-16(6,18)8-2/h10,12-13,18H,7-9,11H2,1-6H3/t12-,13+,16+/m1/s1.
What are the key properties of (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one?
(6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one has a molecular weight of 254.41 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,8S,10S)-10-hydroxy-4,6,8,10-tetramethyldodec-4-en-3-one is sourced from PubChem (CID 162988234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).