(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol

C12H24O2 — CID 102143435

IUPAC(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
SMILESCC(C)(CO)C/C=C\CC(C)(C)CO
InChIInChI=1S/C12H24O2/c1-11(2,9-13)7-5-6-8-12(3,4)10-14/h5-6,13-14H,7-10H2,1-4H3/b6-5-
InChIKeyMPWGQTVZQVPOKX-WAYWQWQTSA-N
MW200.32 g/mol
LogP2.36
Rot. Bonds6

About (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol

(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol (PubChem CID 102143435) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol.

Molecular Properties

Compound Name(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
PubChem CID102143435
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
SMILESCC(C)(CO)C/C=C\CC(C)(C)CO
InChIInChI=1S/C12H24O2/c1-11(2,9-13)7-5-6-8-12(3,4)10-14/h5-6,13-14H,7-10H2,1-4H3/b6-5-
InChIKeyMPWGQTVZQVPOKX-WAYWQWQTSA-N
XLogP2.36
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol?
The IUPAC name of (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol (CID 102143435) is (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol.
What is the SMILES notation for (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol?
The canonical SMILES for (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol is CC(C)(CO)C/C=C\CC(C)(C)CO.
What is the InChIKey of (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol?
The InChIKey is MPWGQTVZQVPOKX-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,9-13)7-5-6-8-12(3,4)10-14/h5-6,13-14H,7-10H2,1-4H3/b6-5-.
What are the key properties of (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol?
(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol has a molecular weight of 200.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol is sourced from PubChem (CID 102143435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).