ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol

C14H32O — CID 143337423

IUPACethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol
SMILESC/C(O)=C(\C)C(C)(C)C(C)C.CC.CC
InChIInChI=1S/C10H20O.2C2H6/c1-7(2)10(5,6)8(3)9(4)11;2*1-2/h7,11H,1-6H3;2*1-2H3/b9-8-;;
InChIKeyXZWNBKFJSSPIEX-ULDSSAIZSA-N
MW216.41 g/mol
LogP5.57
Rot. Bonds2

About ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol

ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol (PubChem CID 143337423) has the molecular formula C14H32O and a molecular weight of 216.41 g/mol. Its IUPAC name is ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol.

Molecular Properties

Compound Nameethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol
PubChem CID143337423
Molecular FormulaC14H32O
Molecular Weight216.41 g/mol
Exact Mass216.25
IUPAC Nameethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol
SMILESC/C(O)=C(\C)C(C)(C)C(C)C.CC.CC
InChIInChI=1S/C10H20O.2C2H6/c1-7(2)10(5,6)8(3)9(4)11;2*1-2/h7,11H,1-6H3;2*1-2H3/b9-8-;;
InChIKeyXZWNBKFJSSPIEX-ULDSSAIZSA-N
XLogP5.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.41
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol?
The IUPAC name of ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol (CID 143337423) is ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol.
What is the SMILES notation for ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol?
The canonical SMILES for ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol is C/C(O)=C(\C)C(C)(C)C(C)C.CC.CC.
What is the InChIKey of ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol?
The InChIKey is XZWNBKFJSSPIEX-ULDSSAIZSA-N. The full InChI is InChI=1S/C10H20O.2C2H6/c1-7(2)10(5,6)8(3)9(4)11;2*1-2/h7,11H,1-6H3;2*1-2H3/b9-8-;;.
What are the key properties of ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol?
ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol has a molecular weight of 216.41 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-3,4,4,5-tetramethylhex-2-en-2-ol is sourced from PubChem (CID 143337423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).