(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol

C12H24O — CID 159142571

IUPAC(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol
SMILESC/C=C/[C@H](C)C(C)(C)[C@@H](C)CCO
InChIInChI=1S/C12H24O/c1-6-7-10(2)12(4,5)11(3)8-9-13/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+/t10-,11-/m0/s1
InChIKeyPSJABTYVLNNIIJ-JYLGIWJRSA-N
MW184.32 g/mol
LogP3.24
Rot. Bonds5

About (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol

(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol (PubChem CID 159142571) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol.

Molecular Properties

Compound Name(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol
PubChem CID159142571
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol
SMILESC/C=C/[C@H](C)C(C)(C)[C@@H](C)CCO
InChIInChI=1S/C12H24O/c1-6-7-10(2)12(4,5)11(3)8-9-13/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+/t10-,11-/m0/s1
InChIKeyPSJABTYVLNNIIJ-JYLGIWJRSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.24
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 (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol?
The IUPAC name of (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol (CID 159142571) is (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol.
What is the SMILES notation for (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol?
The canonical SMILES for (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol is C/C=C/[C@H](C)C(C)(C)[C@@H](C)CCO.
What is the InChIKey of (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol?
The InChIKey is PSJABTYVLNNIIJ-JYLGIWJRSA-N. The full InChI is InChI=1S/C12H24O/c1-6-7-10(2)12(4,5)11(3)8-9-13/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+/t10-,11-/m0/s1.
What are the key properties of (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol?
(E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S,5S)-3,4,4,5-tetramethyloct-6-en-1-ol is sourced from PubChem (CID 159142571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).