2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+)

C15H26O4W — CID 59917190

IUPAC2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+)
SMILES[CH2-]/C=C\CC1C(O)CC(OC)C1C1OCCO1.[CH2-]C.[W+2]
InChIInChI=1S/C13H21O4.C2H5.W/c1-3-4-5-9-10(14)8-11(15-2)12(9)13-16-6-7-17-13;1-2;/h3-4,9-14H,1,5-8H2,2H3;1H2,2H3;/q2*-1;+2/b4-3-;;
InChIKeyPQYKPIAAISDSGI-GSBNXNDCSA-N
MW454.21 g/mol
LogP1.99
Rot. Bonds4

About 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+)

2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+) (PubChem CID 59917190) has the molecular formula C15H26O4W and a molecular weight of 454.21 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+).

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+)
PubChem CID59917190
Molecular FormulaC15H26O4W
Molecular Weight454.21 g/mol
Exact Mass454.13
IUPAC Name2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+)
SMILES[CH2-]/C=C\CC1C(O)CC(OC)C1C1OCCO1.[CH2-]C.[W+2]
InChIInChI=1S/C13H21O4.C2H5.W/c1-3-4-5-9-10(14)8-11(15-2)12(9)13-16-6-7-17-13;1-2;/h3-4,9-14H,1,5-8H2,2H3;1H2,2H3;/q2*-1;+2/b4-3-;;
InChIKeyPQYKPIAAISDSGI-GSBNXNDCSA-N
XLogP1.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+)?
The IUPAC name of 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+) (CID 59917190) is 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+).
What is the SMILES notation for 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+)?
The canonical SMILES for 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+) is [CH2-]/C=C\CC1C(O)CC(OC)C1C1OCCO1.[CH2-]C.[W+2].
What is the InChIKey of 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+)?
The InChIKey is PQYKPIAAISDSGI-GSBNXNDCSA-N. The full InChI is InChI=1S/C13H21O4.C2H5.W/c1-3-4-5-9-10(14)8-11(15-2)12(9)13-16-6-7-17-13;1-2;/h3-4,9-14H,1,5-8H2,2H3;1H2,2H3;/q2*-1;+2/b4-3-;;.
What are the key properties of 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+)?
2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+) has a molecular weight of 454.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]-3-(1,3-dioxolan-2-yl)-4-methoxycyclopentan-1-ol;ethane;tungsten(2+) is sourced from PubChem (CID 59917190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).