(Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol

C16H32O — CID 129310475

IUPAC(Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol
SMILESCC/C(=C(\CCC(C)O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32O/c1-9-13(15(3,4)5)14(16(6,7)8)11-10-12(2)17/h12,17H,9-11H2,1-8H3/b14-13-
InChIKeyAEMVDEWBCOAIGU-YPKPFQOOSA-N
MW240.43 g/mol
LogP4.95
Rot. Bonds4

About (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol

(Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol (PubChem CID 129310475) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol.

Molecular Properties

Compound Name(Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol
PubChem CID129310475
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol
SMILESCC/C(=C(\CCC(C)O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32O/c1-9-13(15(3,4)5)14(16(6,7)8)11-10-12(2)17/h12,17H,9-11H2,1-8H3/b14-13-
InChIKeyAEMVDEWBCOAIGU-YPKPFQOOSA-N
XLogP4.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
CID 3036401
(6S)-6-hydroxyheptan-3-one
CID 163026982
pentadecane-2,5,8,11,14-pentol
CID 175190041
(2R)-pentan-2-ol
CID 7014876
2-methylbutan-2-ol;pentan-2-ol
CID 157230462
(Z)-3-ethyl-2,2,4-trimethylhex-3-ene
CID 142554814
2,8-dihydroxynonan-5-one
CID 174799972
hexan-2-ol;zirconium
CID 174835617
ethane;hexane-2,5-diol
CID 143963822
(5S)-5-hydroxyhexan-2-one
CID 11491928
4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 79192407
4-hydroxy-N-[(2-methylpropan-2-yl)oxy]pentanamide
CID 82724624

Frequently Asked Questions

What is the IUPAC name of (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol?
The IUPAC name of (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol (CID 129310475) is (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol.
What is the SMILES notation for (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol?
The canonical SMILES for (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol is CC/C(=C(\CCC(C)O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol?
The InChIKey is AEMVDEWBCOAIGU-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H32O/c1-9-13(15(3,4)5)14(16(6,7)8)11-10-12(2)17/h12,17H,9-11H2,1-8H3/b14-13-.
What are the key properties of (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol?
(Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol has a molecular weight of 240.43 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-tert-butyl-6-ethyl-7,7-dimethyloct-5-en-2-ol is sourced from PubChem (CID 129310475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).