ethane;(3S)-3-methylcyclohexen-1-ol;zinc

C9H17OZn- — CID 134963588

IUPACethane;(3S)-3-methylcyclohexen-1-ol;zinc
SMILESC[C@@H]1C=C(O)CCC1.[CH2-]C.[Zn]
InChIInChI=1S/C7H12O.C2H5.Zn/c1-6-3-2-4-7(8)5-6;1-2;/h5-6,8H,2-4H2,1H3;1H2,2H3;/q;-1;/t6-;;/m0../s1
InChIKeyRWOXBEFFUOQYHI-ILKKLZGPSA-N
MW206.62 g/mol
LogP3.09
Rot. Bonds

About ethane;(3S)-3-methylcyclohexen-1-ol;zinc

ethane;(3S)-3-methylcyclohexen-1-ol;zinc (PubChem CID 134963588) has the molecular formula C9H17OZn- and a molecular weight of 206.62 g/mol. Its IUPAC name is ethane;(3S)-3-methylcyclohexen-1-ol;zinc.

Molecular Properties

Compound Nameethane;(3S)-3-methylcyclohexen-1-ol;zinc
PubChem CID134963588
Molecular FormulaC9H17OZn-
Molecular Weight206.62 g/mol
Exact Mass205.06
IUPAC Nameethane;(3S)-3-methylcyclohexen-1-ol;zinc
SMILESC[C@@H]1C=C(O)CCC1.[CH2-]C.[Zn]
InChIInChI=1S/C7H12O.C2H5.Zn/c1-6-3-2-4-7(8)5-6;1-2;/h5-6,8H,2-4H2,1H3;1H2,2H3;/q;-1;/t6-;;/m0../s1
InChIKeyRWOXBEFFUOQYHI-ILKKLZGPSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-methylcyclohexen-1-ol;zinc?
The IUPAC name of ethane;(3S)-3-methylcyclohexen-1-ol;zinc (CID 134963588) is ethane;(3S)-3-methylcyclohexen-1-ol;zinc.
What is the SMILES notation for ethane;(3S)-3-methylcyclohexen-1-ol;zinc?
The canonical SMILES for ethane;(3S)-3-methylcyclohexen-1-ol;zinc is C[C@@H]1C=C(O)CCC1.[CH2-]C.[Zn].
What is the InChIKey of ethane;(3S)-3-methylcyclohexen-1-ol;zinc?
The InChIKey is RWOXBEFFUOQYHI-ILKKLZGPSA-N. The full InChI is InChI=1S/C7H12O.C2H5.Zn/c1-6-3-2-4-7(8)5-6;1-2;/h5-6,8H,2-4H2,1H3;1H2,2H3;/q;-1;/t6-;;/m0../s1.
What are the key properties of ethane;(3S)-3-methylcyclohexen-1-ol;zinc?
ethane;(3S)-3-methylcyclohexen-1-ol;zinc has a molecular weight of 206.62 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-methylcyclohexen-1-ol;zinc is sourced from PubChem (CID 134963588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).