(3R)-2,2,4,4-tetramethylhex-5-en-3-ol

C10H20O — CID 58380115

IUPAC(3R)-2,2,4,4-tetramethylhex-5-en-3-ol
SMILESC=CC(C)(C)[C@H](O)C(C)(C)C
InChIInChI=1S/C10H20O/c1-7-10(5,6)8(11)9(2,3)4/h7-8,11H,1H2,2-6H3/t8-/m1/s1
InChIKeyIJSRRZCNARQPEQ-MRVPVSSYSA-N
MW156.27 g/mol
LogP2.61
Rot. Bonds2

About (3R)-2,2,4,4-tetramethylhex-5-en-3-ol

(3R)-2,2,4,4-tetramethylhex-5-en-3-ol (PubChem CID 58380115) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3R)-2,2,4,4-tetramethylhex-5-en-3-ol.

Molecular Properties

Compound Name(3R)-2,2,4,4-tetramethylhex-5-en-3-ol
PubChem CID58380115
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3R)-2,2,4,4-tetramethylhex-5-en-3-ol
SMILESC=CC(C)(C)[C@H](O)C(C)(C)C
InChIInChI=1S/C10H20O/c1-7-10(5,6)8(11)9(2,3)4/h7-8,11H,1H2,2-6H3/t8-/m1/s1
InChIKeyIJSRRZCNARQPEQ-MRVPVSSYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.61
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 (3R)-2,2,4,4-tetramethylhex-5-en-3-ol?
The IUPAC name of (3R)-2,2,4,4-tetramethylhex-5-en-3-ol (CID 58380115) is (3R)-2,2,4,4-tetramethylhex-5-en-3-ol.
What is the SMILES notation for (3R)-2,2,4,4-tetramethylhex-5-en-3-ol?
The canonical SMILES for (3R)-2,2,4,4-tetramethylhex-5-en-3-ol is C=CC(C)(C)[C@H](O)C(C)(C)C.
What is the InChIKey of (3R)-2,2,4,4-tetramethylhex-5-en-3-ol?
The InChIKey is IJSRRZCNARQPEQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20O/c1-7-10(5,6)8(11)9(2,3)4/h7-8,11H,1H2,2-6H3/t8-/m1/s1.
What are the key properties of (3R)-2,2,4,4-tetramethylhex-5-en-3-ol?
(3R)-2,2,4,4-tetramethylhex-5-en-3-ol has a molecular weight of 156.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,4,4-tetramethylhex-5-en-3-ol is sourced from PubChem (CID 58380115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).