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

C10H20O — CID 23583871

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

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

(3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol (PubChem CID 23583871) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol.

Molecular Properties

Compound Name(3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol
PubChem CID23583871
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol
SMILESC=C[C@@H](C)[C@](C)(O)C(C)(C)C
InChIInChI=1S/C10H20O/c1-7-8(2)10(6,11)9(3,4)5/h7-8,11H,1H2,2-6H3/t8-,10+/m1/s1
InChIKeyRQIUIOOORQEPGL-SCZZXKLOSA-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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Related Compounds

4-Methyl-1-hepten-4-ol
CID 136921
3-Ethyl-5-hexen-3-ol
CID 137255
1,6-Heptadien-4-ol, 4-ethyl-
CID 40588
3-Tert-butyl-2,2,4-trimethylhex-5-en-3-ol
CID 10888893
4-Propyl-1,6-heptadien-4-ol
CID 142990
2,3-Dimethyl-5-hexen-2-ol
CID 85958390
3,4-Dimethyl-5-hexen-3-ol
CID 552025
2,3,3-Trimethyl-4-penten-2-ol
CID 12251652
3-Isopropyl-4-methyl-1-penten-3-ol
CID 13842650
(3R)-2,3-dimethylhex-5-en-3-ol
CID 59910936
2,3-Dimethyl-5-hexen-3-ol
CID 140557
2,3,4-Trimethyl-5-hexen-3-ol
CID 141427

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol?
The IUPAC name of (3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol (CID 23583871) is (3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol.
What is the SMILES notation for (3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol?
The canonical SMILES for (3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol is C=C[C@@H](C)[C@](C)(O)C(C)(C)C.
What is the InChIKey of (3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol?
The InChIKey is RQIUIOOORQEPGL-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H20O/c1-7-8(2)10(6,11)9(3,4)5/h7-8,11H,1H2,2-6H3/t8-,10+/m1/s1.
What are the key properties of (3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol?
(3S,4R)-2,2,3,4-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 (3S,4R)-2,2,3,4-tetramethylhex-5-en-3-ol is sourced from PubChem (CID 23583871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).