trans-alpha-Necrodol

C10H18O — CID 10909794

IUPAC[(1S,4S)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methanol
SMILESC[C@H]1C(=C[C@@H](C1(C)C)CO)C
InChIInChI=1S/C10H18O/c1-7-5-9(6-11)10(3,4)8(7)2/h5,8-9,11H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyKMSIDXMGNKQFNQ-DTWKUNHWSA-N
MW154.25 g/mol
LogP1.90
Rot. Bonds1

About trans-alpha-Necrodol

trans-alpha-Necrodol (PubChem CID 10909794) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is [(1S,4S)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Nametrans-alpha-Necrodol
PubChem CID10909794
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name[(1S,4S)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methanol
SMILESC[C@H]1C(=C[C@@H](C1(C)C)CO)C
InChIInChI=1S/C10H18O/c1-7-5-9(6-11)10(3,4)8(7)2/h5,8-9,11H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyKMSIDXMGNKQFNQ-DTWKUNHWSA-N
XLogP1.90
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity179

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-alpha-Necrodol?
The IUPAC name of trans-alpha-Necrodol (CID 10909794) is [(1S,4S)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methanol.
What is the SMILES notation for trans-alpha-Necrodol?
The canonical SMILES for trans-alpha-Necrodol is C[C@H]1C(=C[C@@H](C1(C)C)CO)C.
What is the InChIKey of trans-alpha-Necrodol?
The InChIKey is KMSIDXMGNKQFNQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H18O/c1-7-5-9(6-11)10(3,4)8(7)2/h5,8-9,11H,6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of trans-alpha-Necrodol?
trans-alpha-Necrodol has a molecular weight of 154.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-alpha-Necrodol is sourced from PubChem (CID 10909794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).