calcium;1,3-dimethoxybenzene;hydride

C8H12CaO2 — CID 174808068

IUPACcalcium;1,3-dimethoxybenzene;hydride
SMILESCOc1cccc(OC)c1.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H10O2.Ca.2H/c1-9-7-4-3-5-8(6-7)10-2;;;/h3-6H,1-2H3;;;/q;+2;2*-1
InChIKeyQYFBUEZEDYIEOO-UHFFFAOYSA-N
MW180.26 g/mol
LogP1.55
Rot. Bonds2

About calcium;1,3-dimethoxybenzene;hydride

calcium;1,3-dimethoxybenzene;hydride (PubChem CID 174808068) has the molecular formula C8H12CaO2 and a molecular weight of 180.26 g/mol. Its IUPAC name is calcium;1,3-dimethoxybenzene;hydride.

Molecular Properties

Compound Namecalcium;1,3-dimethoxybenzene;hydride
PubChem CID174808068
Molecular FormulaC8H12CaO2
Molecular Weight180.26 g/mol
Exact Mass180.05
IUPAC Namecalcium;1,3-dimethoxybenzene;hydride
SMILESCOc1cccc(OC)c1.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H10O2.Ca.2H/c1-9-7-4-3-5-8(6-7)10-2;;;/h3-6H,1-2H3;;;/q;+2;2*-1
InChIKeyQYFBUEZEDYIEOO-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
carbanide;1,3-dimethoxybenzene;rubidium(1+)
CID 160752391
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
CID 139245906
CID 139245906
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
CID 153354664
CID 153354664
CID 10458332
CID 10458332

Frequently Asked Questions

What is the IUPAC name of calcium;1,3-dimethoxybenzene;hydride?
The IUPAC name of calcium;1,3-dimethoxybenzene;hydride (CID 174808068) is calcium;1,3-dimethoxybenzene;hydride.
What is the SMILES notation for calcium;1,3-dimethoxybenzene;hydride?
The canonical SMILES for calcium;1,3-dimethoxybenzene;hydride is COc1cccc(OC)c1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;1,3-dimethoxybenzene;hydride?
The InChIKey is QYFBUEZEDYIEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.Ca.2H/c1-9-7-4-3-5-8(6-7)10-2;;;/h3-6H,1-2H3;;;/q;+2;2*-1.
What are the key properties of calcium;1,3-dimethoxybenzene;hydride?
calcium;1,3-dimethoxybenzene;hydride has a molecular weight of 180.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;1,3-dimethoxybenzene;hydride is sourced from PubChem (CID 174808068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).