3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol

C18H26Cl2O2Si — CID 173246524

IUPAC3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol
SMILESCC1=C(CCCO)C([SiH2]C2=C(Cl)CC(C)=C2CCCO)=C(Cl)C1
InChIInChI=1S/C18H26Cl2O2Si/c1-11-9-15(19)17(13(11)5-3-7-21)23-18-14(6-4-8-22)12(2)10-16(18)20/h21-22H,3-10,23H2,1-2H3
InChIKeyBHEGXZIYIDXXME-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.04
Rot. Bonds8

About 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol

3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol (PubChem CID 173246524) has the molecular formula C18H26Cl2O2Si and a molecular weight of 373.40 g/mol. Its IUPAC name is 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol
PubChem CID173246524
Molecular FormulaC18H26Cl2O2Si
Molecular Weight373.40 g/mol
Exact Mass372.11
IUPAC Name3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol
SMILESCC1=C(CCCO)C([SiH2]C2=C(Cl)CC(C)=C2CCCO)=C(Cl)C1
InChIInChI=1S/C18H26Cl2O2Si/c1-11-9-15(19)17(13(11)5-3-7-21)23-18-14(6-4-8-22)12(2)10-16(18)20/h21-22H,3-10,23H2,1-2H3
InChIKeyBHEGXZIYIDXXME-UHFFFAOYSA-N
XLogP4.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol?
The IUPAC name of 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol (CID 173246524) is 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol.
What is the SMILES notation for 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol?
The canonical SMILES for 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol is CC1=C(CCCO)C([SiH2]C2=C(Cl)CC(C)=C2CCCO)=C(Cl)C1.
What is the InChIKey of 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol?
The InChIKey is BHEGXZIYIDXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26Cl2O2Si/c1-11-9-15(19)17(13(11)5-3-7-21)23-18-14(6-4-8-22)12(2)10-16(18)20/h21-22H,3-10,23H2,1-2H3.
What are the key properties of 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol?
3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol has a molecular weight of 373.40 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-[2-chloro-5-(3-hydroxypropyl)-4-methylcyclopenta-1,4-dien-1-yl]silyl-2-methylcyclopenta-1,4-dien-1-yl]propan-1-ol is sourced from PubChem (CID 173246524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).